{4-[3-(trifluoromethyl)phenyl]phenyl}methanol

• ChemBase ID: 797973
• Molecular Formular: C14H11F3O
• Molecular Mass: 252.2317496
• Monoisotopic Mass: 252.07619963
• SMILES: C(O)c1ccc(cc1)c1cc(ccc1)C(F)(F)F
• Canonical SMILES: OCc1ccc(cc1)c1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C14H11F3O/c15-14(16,17)13-3-1-2-12(8-13)11-6-4-10(9-18)5-7-11/h1-8,18H,9H2
• InChIKey: BVPHVFJGWWPIEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[3-(trifluoromethyl)phenyl]phenyl}methanol
• IUPAC Traditional name: {4-[3-(trifluoromethyl)phenyl]phenyl}methanol
• Synonyms: (3'-Trifluoromethyl-biphenyl-4-yl)-methanol

Database IDs

• CAS Number: 773872-63-2

CALCULATED PROPERTIES

• Acid pKa: 14.993477
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.73097
• LogD (pH = 7.4): 3.73097
• Log P: 3.73097
• Molar Refractivity: 63.9838 cm^3
• Polarizability: 24.651651 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%