Cas no 1261958-51-3 (5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol)

5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol is a fluorinated phenolic compound featuring both methoxy and trifluoromethoxy functional groups. Its unique structure confers enhanced stability and reactivity, making it valuable in synthetic organic chemistry and pharmaceutical research. The trifluoromethoxy group contributes to increased lipophilicity and metabolic resistance, while the methoxyphenyl moiety offers versatility in further derivatization. This compound is particularly useful as an intermediate in the development of bioactive molecules, including potential agrochemicals and pharmaceuticals, where fluorine incorporation is desirable for optimizing physicochemical properties. Its well-defined structure ensures reproducibility in synthetic applications, supporting precise molecular design.
5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol structure
1261958-51-3 structure
Product Name:5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol
CAS No:1261958-51-3
MF:C14H11F3O3
MW:284.230554819107
MDL:MFCD18316232
CID:2766066
PubChem ID:53221955
Update Time:2025-05-26

5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol Chemical and Physical Properties

Names and Identifiers

    • 5-(2-METHOXYPHENYL)-3-TRIFLUOROMETHOXYPHENOL
    • 1261958-51-3
    • 2'-Methoxy-5-(trifluoromethoxy)[1,1'-biphenyl]-3-ol
    • MFCD18316232
    • DTXSID80686543
    • 5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol, 95%
    • 5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol
    • MDL: MFCD18316232
    • Inchi: 1S/C14H11F3O3/c1-19-13-5-3-2-4-12(13)9-6-10(18)8-11(7-9)20-14(15,16)17/h2-8,18H,1H3
    • InChI Key: LMHBRTQFCWXEMU-UHFFFAOYSA-N
    • SMILES: FC(OC1=CC(=CC(=C1)C1C=CC=CC=1OC)O)(F)F

Computed Properties

  • Exact Mass: 284.06602869Da
  • Monoisotopic Mass: 284.06602869Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • 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: 4.3
  • Topological Polar Surface Area: 38.7?2

5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB322440-5 g
5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol, 95%; .
1261958-51-3 95%
5g
€1159.00 2023-04-26
abcr
AB322440-5g
5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol, 95%; .
1261958-51-3 95%
5g
€1159.00 2025-02-21

Additional information on 5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol

Introduction to 5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol (CAS No. 1261958-51-3) and Its Emerging Applications in Chemical Biology

The compound 5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol, identified by the CAS number 1261958-51-3, represents a significant advancement in the field of chemical biology and pharmaceutical research. This molecule, characterized by its unique structural features—including a 2-methoxyphenyl group and a trifluoromethoxyphenol moiety—has garnered considerable attention due to its potential applications in drug discovery and molecular targeting.

Recent studies have highlighted the compound's significance in the development of novel therapeutic agents. The presence of both methoxy and trifluoromethoxy substituents imparts distinct electronic and steric properties, making it a versatile scaffold for designing molecules with enhanced binding affinity and selectivity. These attributes are particularly valuable in the context of modulating biological pathways associated with diseases such as cancer, inflammation, and neurodegeneration.

In the realm of oncology, researchers have been exploring the pharmacological potential of 5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol as an inhibitor of key signaling cascades involved in tumor progression. Preliminary in vitro studies suggest that this compound exhibits inhibitory activity against enzymes such as tyrosine kinases and phosphodiesterases, which are critical for maintaining aberrant cell growth. The trifluoromethoxyphenol moiety, in particular, has been shown to enhance metabolic stability while improving solubility, thereby optimizing pharmacokinetic profiles.

Moreover, the 2-methoxyphenyl group contributes to the compound's ability to interact with biological targets through hydrophobic and π-stacking interactions. This feature is particularly relevant for designing molecules that can penetrate cellular membranes and reach intracellular compartments efficiently. Such interactions are essential for achieving therapeutic efficacy in vivo.

Advances in computational chemistry have further accelerated the exploration of 5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol's potential. Molecular docking simulations have been employed to predict its binding modes with various protein targets, providing insights into its mechanism of action. These simulations have revealed that the compound can dock effectively into active sites of enzymes implicated in disease pathways, suggesting its suitability as a lead compound for further optimization.

The synthesis of this compound has also been refined through modern organic methodologies, ensuring high yields and purity. Techniques such as palladium-catalyzed cross-coupling reactions have been instrumental in constructing the aromatic core efficiently. Additionally, fluorine-containing groups—specifically the trifluoromethoxy moiety—have been strategically incorporated to modulate lipophilicity and metabolic resistance, key factors in drug development.

Emerging evidence from preclinical studies indicates that 5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol exhibits promising bioactivity without significant toxicity at relevant concentrations. These findings underscore its potential as a candidate for clinical translation. However, further research is needed to fully elucidate its pharmacokinetic behavior and long-term safety profile.

In conclusion, 5-(2-Methoxyphenyl)-3-trifluoromethoxyphenol (CAS No. 1261958-51-3) stands out as a structurally intriguing molecule with substantial therapeutic promise. Its unique combination of functional groups makes it an attractive candidate for drug discovery initiatives aimed at addressing complex diseases. As research progresses, this compound is poised to contribute significantly to advancements in chemical biology and medicinal chemistry.

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