(4-benzylphenyl)methanol

• ChemBase ID: 247247
• Molecular Formular: C14H14O
• Molecular Mass: 198.26036
• Monoisotopic Mass: 198.10446507
• SMILES: c1(Cc2ccccc2)ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)Cc1ccccc1
• InChI: InChI=1S/C14H14O/c15-11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2
• InChIKey: MHZOFWFRCQRXIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-benzylphenyl)methanol
• IUPAC Traditional name: (4-benzylphenyl)methanol
• Synonyms: (4-benzylphenyl)methanol

Database IDs

• MDL Number: MFCD11846511
• PubChem SID: 164303157
• PubChem CID: 597614

CALCULATED PROPERTIES

• Acid pKa: 15.03439
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2976902
• LogD (pH = 7.4): 3.2976902
• Log P: 3.2976902
• Molar Refractivity: 62.6111 cm^3
• Polarizability: 24.195204 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 37 - 39°C
• Hydrophobicity(logP): 3.171

Product Information

• Purity: 95%