Cas no 1261916-85-1 (5-(2-Fluoro-5-methylphenyl)-3-methylphenol)

5-(2-Fluoro-5-methylphenyl)-3-methylphenol is a fluorinated phenolic compound characterized by its unique structural features, including a fluorine substituent and methyl groups on the aromatic rings. This configuration enhances its stability and reactivity, making it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. The fluorine atom contributes to increased lipophilicity and metabolic stability, while the methyl groups influence steric and electronic properties. Its well-defined structure allows for precise modifications in target molecules. Suitable for research and industrial applications, this compound offers consistent purity and reliable performance in synthetic pathways requiring fluorinated phenolic building blocks.
5-(2-Fluoro-5-methylphenyl)-3-methylphenol structure
1261916-85-1 structure
Product Name:5-(2-Fluoro-5-methylphenyl)-3-methylphenol
CAS No:1261916-85-1
MF:C14H13FO
MW:216.250827550888
MDL:MFCD18313151
CID:2763290
PubChem ID:53218844
Update Time:2025-06-29

5-(2-Fluoro-5-methylphenyl)-3-methylphenol Chemical and Physical Properties

Names and Identifiers

    • 5-(2-Fluoro-5-methylphenyl)-3-methylphenol, 95%
    • DTXSID50683741
    • 1261916-85-1
    • 5-(2-FLUORO-5-METHYLPHENYL)-3-METHYLPHENOL
    • 2'-Fluoro-5,5'-dimethyl[1,1'-biphenyl]-3-ol
    • MFCD18313151
    • 5-(2-Fluoro-5-methylphenyl)-3-methylphenol
    • MDL: MFCD18313151
    • Inchi: 1S/C14H13FO/c1-9-3-4-14(15)13(7-9)11-5-10(2)6-12(16)8-11/h3-8,16H,1-2H3
    • InChI Key: RJZPOXLGQPCTEE-UHFFFAOYSA-N
    • SMILES: FC1=CC=C(C)C=C1C1C=C(C=C(C)C=1)O

Computed Properties

  • Exact Mass: 216.095043196g/mol
  • Monoisotopic Mass: 216.095043196g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 231
  • 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
  • Topological Polar Surface Area: 20.2?2

5-(2-Fluoro-5-methylphenyl)-3-methylphenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB319159-5 g
5-(2-Fluoro-5-methylphenyl)-3-methylphenol, 95%; .
1261916-85-1 95%
5g
€1159.00 2023-04-26
abcr
AB319159-5g
5-(2-Fluoro-5-methylphenyl)-3-methylphenol, 95%; .
1261916-85-1 95%
5g
€1159.00 2025-04-21

Additional information on 5-(2-Fluoro-5-methylphenyl)-3-methylphenol

5-(2-Fluoro-5-methylphenyl)-3-methylphenol: A Comprehensive Overview

The compound 5-(2-Fluoro-5-methylphenyl)-3-methylphenol, identified by the CAS number CAS No. 1261916-85-1, is a structurally complex aromatic compound with significant potential in various chemical and pharmaceutical applications. This compound is characterized by its unique substitution pattern, which includes a fluorine atom at the 2-position of the phenyl ring and methyl groups at the 3 and 5 positions. Such a configuration not only imparts distinctive electronic properties but also influences its reactivity and stability, making it an interesting subject for both academic and industrial research.

Recent studies have highlighted the importance of fluorinated aromatic compounds in drug discovery and material science. The presence of a fluorine atom in 5-(2-Fluoro-5-methylphenyl)-3-methylphenol contributes to its lipophilicity, which is a critical factor in determining drug bioavailability. Moreover, the methyl groups at the 3 and 5 positions enhance the molecule's stability, reducing its susceptibility to oxidation and other degradation pathways. These properties make it a promising candidate for use in developing new pharmaceutical agents, particularly in the field of anti-inflammatory and antioxidant therapies.

In terms of synthesis, researchers have explored various methodologies to construct this compound efficiently. One notable approach involves the use of Suzuki-Miyaura coupling reactions, which allow for precise control over the substitution pattern of the aromatic rings. This method has been optimized to achieve high yields and excellent regioselectivity, ensuring that the final product meets stringent quality standards required for both research and commercial applications.

The physical and chemical properties of 5-(2-Fluoro-5-methylphenyl)-3-methylphenol have been extensively characterized using advanced analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and X-ray crystallography. These studies have provided valuable insights into its molecular structure, solubility, and thermal stability. For instance, NMR analysis has confirmed the presence of distinct proton environments corresponding to the fluorinated and methyl-substituted aromatic rings, while X-ray crystallography has revealed its crystalline structure at atomic resolution.

Beyond its chemical significance, this compound has also garnered attention in materials science due to its potential as a building block for advanced materials. For example, it has been proposed as a precursor for constructing functional polymers with tailored electronic properties. Researchers have demonstrated that incorporating this compound into polymer matrices can enhance their mechanical strength and thermal resistance, making them suitable for high-performance applications in electronics and aerospace industries.

In conclusion, 5-(2-Fluoro-5-methylphenyl)-3-methylphenol represents a versatile compound with a wide range of potential applications across multiple disciplines. Its unique structure, combined with favorable physical and chemical properties, positions it as a valuable tool for advancing scientific research and industrial innovation. As ongoing studies continue to uncover new insights into its behavior and utility, this compound is poised to play an increasingly important role in shaping future developments in chemistry and materials science.

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