Cas no 1261948-52-0 (5-(3-Benzyloxyphenyl)-2-fluorophenol)
5-(3-Benzyloxyphenyl)-2-fluorophenol Chemical and Physical Properties
Names and Identifiers
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- 5-(3-Benzyloxyphenyl)-2-fluorophenol, 95%
- 3'-(Benzyloxy)-4-fluoro[1,1'-biphenyl]-3-ol
- MFCD18314074
- 5-(3-BENZYLOXYPHENYL)-2-FLUOROPHENOL
- DTXSID90684575
- 1261948-52-0
- 5-(3-Benzyloxyphenyl)-2-fluorophenol
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- MDL: MFCD18314074
- Inchi: 1S/C19H15FO2/c20-18-10-9-16(12-19(18)21)15-7-4-8-17(11-15)22-13-14-5-2-1-3-6-14/h1-12,21H,13H2
- InChI Key: GYFQFHAJMNBUHV-UHFFFAOYSA-N
- SMILES: FC1C=CC(=CC=1O)C1C=CC=C(C=1)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 294.10560788Da
- Monoisotopic Mass: 294.10560788Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 329
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 29.5?2
5-(3-Benzyloxyphenyl)-2-fluorophenol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB320111-5 g |
5-(3-Benzyloxyphenyl)-2-fluorophenol, 95%; . |
1261948-52-0 | 95% | 5g |
€1159.00 | 2023-04-26 | |
| abcr | AB320111-5g |
5-(3-Benzyloxyphenyl)-2-fluorophenol, 95%; . |
1261948-52-0 | 95% | 5g |
€1159.00 | 2025-03-19 |
5-(3-Benzyloxyphenyl)-2-fluorophenol Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
Additional information on 5-(3-Benzyloxyphenyl)-2-fluorophenol
Introduction to 5-(3-Benzyloxyphenyl)-2-fluorophenol (CAS No: 1261948-52-0)
5-(3-Benzyloxyphenyl)-2-fluorophenol, identified by the Chemical Abstracts Service Number (CAS No) 1261948-52-0, is a fluorinated aromatic compound with a benzyloxy substituent on the phenyl ring. This molecule has garnered significant attention in the field of medicinal chemistry due to its structural features and potential biological activities. The presence of both fluorine and benzyloxy groups imparts unique electronic and steric properties, making it a valuable scaffold for the development of novel therapeutic agents.
The compound belongs to a class of phenolic derivatives that have been extensively studied for their pharmacological properties. The fluorophenol core is particularly interesting because fluorine atoms can modulate the bioavailability, metabolic stability, and binding affinity of drug molecules. In particular, 2-fluorophenols have been reported to exhibit inhibitory effects on various enzymes and receptors, making them promising candidates for treating a range of diseases.
The benzyloxyphenyl moiety in 5-(3-Benzyloxyphenyl)-2-fluorophenol contributes to the molecule's solubility and interactions with biological targets. This group can also serve as a site for further functionalization, allowing chemists to tailor the compound's properties for specific applications. Recent studies have highlighted the role of benzyloxy-substituted phenols in modulating inflammatory pathways and antioxidant activities, which are crucial for developing treatments against chronic diseases.
One of the most compelling aspects of 5-(3-Benzyloxyphenyl)-2-fluorophenol is its potential in drug discovery. The combination of a fluorine atom and a benzyloxy group creates a molecule that can interact with biological systems in multiple ways. For instance, fluorine atoms can enhance binding to proteins by increasing lipophilicity, while benzyloxy groups can improve water solubility and metabolic stability. This dual functionality makes the compound an attractive candidate for further exploration in medicinal chemistry.
Recent advancements in computational chemistry have enabled researchers to predict the biological activity of 5-(3-Benzyloxyphenyl)-2-fluorophenol with greater accuracy. Molecular docking studies have shown that this compound can bind to various targets, including enzymes involved in cancer metabolism and inflammatory responses. These findings suggest that 5-(3-Benzyloxyphenyl)-2-fluorophenol may have therapeutic potential in treating conditions such as cancer and autoimmune diseases.
In addition to its biological activities, 5-(3-Benzyloxyphenyl)-2-fluorophenol has been studied for its chemical reactivity. The presence of both fluorine and benzyloxy groups provides multiple sites for chemical modification, allowing researchers to design derivatives with enhanced properties. For example, fluorine atoms can be replaced with other halogens or alkyl groups to explore different biological outcomes. Similarly, benzyloxy groups can be converted into other functional moieties to improve solubility or target specificity.
The synthesis of 5-(3-Benzyloxyphenyl)-2-fluorophenol has also been optimized for scalability and efficiency. Modern synthetic methods have enabled the production of this compound in high yields with minimal byproducts. This is crucial for pharmaceutical applications where purity and cost-effectiveness are paramount. Researchers have developed multi-step synthetic routes that incorporate modern catalytic techniques, reducing reaction times and improving overall yields.
One notable application of 5-(3-Benzyloxyphenyl)-2-fluorophenol is in the development of anticancer agents. Studies have shown that fluorinated phenols can inhibit key enzymes involved in tumor growth and metastasis. The benzyloxy group further enhances the molecule's ability to interact with biological targets by improving solubility and metabolic stability. These properties make 5-(3-Benzyloxyphenyl)-2-fluorophenol a promising candidate for further development as an anticancer drug.
Another area where 5-(3-Benzyloxyphenyl)-2-fluorophenol shows promise is in anti-inflammatory therapies. Chronic inflammation is a hallmark of many diseases, including arthritis and cardiovascular disorders. The compound's ability to modulate inflammatory pathways has been demonstrated in preclinical studies, suggesting its potential as a therapeutic agent. By targeting key inflammatory mediators, 5-(3-Benzyloxyphenyl)-2-fluorophenol could help alleviate symptoms associated with these conditions.
The future of 5-(3-Benzyloxyphenyl)-2-fluorophenol lies in its continued exploration as a pharmacological tool. Researchers are increasingly using computational methods to predict the biological activity of novel compounds like this one. These advancements are accelerating the discovery of new drugs by allowing scientists to screen large libraries of molecules efficiently. As computational techniques improve, so too will our understanding of how compounds like 5-(3-Benzyloxyphenyl)-2-fluorophenol interact with biological systems.
In conclusion, 5-(3-Benzyloxyphenyl)-2-fluorophenol (CAS No: 1261948-52-0) is a fascinating compound with significant potential in medicinal chemistry. Its unique structural features make it an attractive candidate for drug development, particularly in areas such as oncology and anti-inflammatory therapies. With ongoing research and advancements in computational chemistry, this compound is poised to play a crucial role in the discovery of new therapeutic agents.
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