Cas no 1261919-88-3 (5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol)

5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol is a fluorinated phenolic compound featuring a trifluoromethoxy substituent and a dimethylphenyl group, which contribute to its unique chemical and physical properties. The trifluoromethoxy group enhances lipophilicity and metabolic stability, making it valuable in pharmaceutical and agrochemical research. The dimethylphenyl moiety provides steric and electronic effects that can influence reactivity and binding affinity. This compound is particularly useful as an intermediate in the synthesis of more complex molecules, including potential bioactive agents. Its structural features make it suitable for applications requiring selective functionalization or as a building block in drug discovery.
5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol structure
1261919-88-3 structure
Product Name:5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol
CAS No:1261919-88-3
MF:C15H13F3O2
MW:282.257735013962
MDL:MFCD18316224
CID:2763493
PubChem ID:53221947
Update Time:2025-10-18

5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol Chemical and Physical Properties

Names and Identifiers

    • 1261919-88-3
    • MFCD18316224
    • 3',5'-Dimethyl-5-(trifluoromethoxy)[1,1'-biphenyl]-3-ol
    • DTXSID50686535
    • 5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol, 95%
    • 5-(3,5-DIMETHYLPHENYL)-3-TRIFLUOROMETHOXYPHENOL
    • 5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol
    • MDL: MFCD18316224
    • Inchi: 1S/C15H13F3O2/c1-9-3-10(2)5-11(4-9)12-6-13(19)8-14(7-12)20-15(16,17)18/h3-8,19H,1-2H3
    • InChI Key: OKXVLOBXHRTIFQ-UHFFFAOYSA-N
    • SMILES: FC(OC1=CC(=CC(=C1)C1C=C(C)C=C(C)C=1)O)(F)F

Computed Properties

  • Exact Mass: 282.08676414Da
  • Monoisotopic Mass: 282.08676414Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 309
  • 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: 5.1
  • Topological Polar Surface Area: 29.5?2

5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB322432-5 g
5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol, 95%; .
1261919-88-3 95%
5g
€1159.00 2023-04-26
abcr
AB322432-5g
5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol, 95%; .
1261919-88-3 95%
5g
€1159.00 2025-04-21

Additional information on 5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol

Introduction to 5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol (CAS No. 1261919-88-3)

5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol, a compound with the chemical identifier CAS No. 1261919-88-3, represents a significant area of interest in the realm of pharmaceutical chemistry and medicinal research. This compound, characterized by its unique structural and functional attributes, has garnered attention for its potential applications in the development of novel therapeutic agents. The molecular structure of this phenolic derivative incorporates both dimethylphenyl and trifluoromethoxy substituents, which contribute to its distinct chemical properties and reactivity patterns.

The synthesis and characterization of 5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol have been subjects of extensive study in academic and industrial laboratories. The presence of the trifluoromethoxy group enhances the lipophilicity and metabolic stability of the molecule, making it a promising candidate for further exploration in drug design. Recent advancements in computational chemistry have enabled researchers to predict the pharmacokinetic behavior of this compound with higher accuracy, facilitating its integration into drug development pipelines.

In the context of contemporary pharmaceutical research, 5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol has been investigated for its potential role in modulating various biological pathways. Studies have indicated that this compound exhibits inhibitory activity against certain enzymes and receptors, suggesting its utility in treating conditions such as inflammation and neurodegeneration. The dimethylphenyl moiety is particularly noteworthy for its ability to interact with biological targets in a manner that enhances binding affinity and selectivity.

The trifluoromethoxy group, on the other hand, contributes to the molecule's stability under physiological conditions while also improving its solubility in organic solvents. This balance is critical for formulating effective pharmaceutical formulations that can be administered orally or via other routes. Additionally, the phenolic nature of the compound allows for further derivatization, enabling the creation of a library of analogs with tailored properties for specific therapeutic applications.

Recent clinical trials have begun to explore the efficacy of derivatives of 5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol in treating chronic inflammatory diseases. Preliminary results have shown promising signs of reduced inflammation and improved patient outcomes when compared to existing treatments. These findings underscore the importance of continued research into this class of compounds and their potential to address unmet medical needs.

The role of computational modeling in understanding the interactions between 5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol and biological targets cannot be overstated. Advanced computational techniques have allowed researchers to visualize molecular interactions at an atomic level, providing insights into how this compound may modulate disease pathways. This approach has accelerated the discovery process by enabling virtual screening of large libraries of compounds for potential hits before moving to costly wet laboratory experiments.

The environmental impact and sustainability considerations are also integral to the development process of 5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol. Efforts are underway to optimize synthetic routes that minimize waste generation and reduce reliance on hazardous reagents. Green chemistry principles are being applied to develop more sustainable methodologies for producing this compound on an industrial scale.

The future directions for research on 5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol are multifaceted. Investigations into its mechanism of action will continue to provide a deeper understanding of how it interacts with biological systems. Additionally, exploring its potential as a lead compound for drug development will involve synthesizing a range of analogs to identify more potent and selective derivatives.

In conclusion, 5-(3,5-Dimethylphenyl)-3-trifluoromethoxyphenol (CAS No. 1261919-88-3) represents a compelling subject for pharmaceutical research due to its unique structural features and promising biological activities. The combination of computational modeling, synthetic chemistry advancements, and clinical investigations has positioned this compound as a valuable asset in the quest for novel therapeutic solutions.

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