bis(4-fluorophenyl)(phenyl)methanol

• ChemBase ID: 244285
• Molecular Formular: C19H14F2O
• Molecular Mass: 296.3106664
• Monoisotopic Mass: 296.10127151
• SMILES: C(c1ccc(cc1)F)(c1ccc(cc1)F)(c1ccccc1)O
• Canonical SMILES: Fc1ccc(cc1)C(c1ccc(cc1)F)(c1ccccc1)O
• InChI: InChI=1S/C19H14F2O/c20-17-10-6-15(7-11-17)19(22,14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,22H
• InChIKey: HRLJEADIACXJQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-fluorophenyl)(phenyl)methanol
• IUPAC Traditional name: bis(4-fluorophenyl)(phenyl)methanol
• Synonyms: bis(4-fluorophenyl)(phenyl)methanol

Database IDs

• MDL Number: MFCD09743759
• PubChem SID: 164300195
• PubChem CID: 12580270

CALCULATED PROPERTIES

• Acid pKa: 12.682043
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.923782
• LogD (pH = 7.4): 4.9237795
• Log P: 4.923782
• Molar Refractivity: 83.7443 cm^3
• Polarizability: 31.25624 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86 - 88°C
• Hydrophobicity(logP): 4.176

Product Information

• Purity: 95%