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

• ChemBase ID: 292432
• Molecular Formular: C14H11F3O2
• Molecular Mass: 268.2311496
• Monoisotopic Mass: 268.07111425
• SMILES: OCc1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
• Canonical SMILES: OCc1ccc(cc1)Oc1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C14H11F3O2/c15-14(16,17)11-3-7-13(8-4-11)19-12-5-1-10(9-18)2-6-12/h1-8,18H,9H2
• InChIKey: DFIYQZIHZLMLHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[4-(trifluoromethyl)phenoxy]phenyl}methanol
• IUPAC Traditional name: {4-[4-(trifluoromethyl)phenoxy]phenyl}methanol
• Synonyms: (4-(4-(Trifluoromethyl)phenoxy)phenyl)methanol

Database IDs

• CAS Number: 933786-79-9
• PubChem SID: 180677963
• PubChem CID: 57543181

CALCULATED PROPERTIES

• Acid pKa: 14.996395
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5840318
• LogD (pH = 7.4): 3.5840318
• Log P: 3.5840318
• Molar Refractivity: 65.0884 cm^3
• Polarizability: 24.169325 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%