1-(4-methoxyphenyl)-1,2-diphenylethan-1-ol

• ChemBase ID: 120367
• Molecular Formular: C21H20O2
• Molecular Mass: 304.3823
• Monoisotopic Mass: 304.14632988
• SMILES: C(c1ccc(cc1)OC)(Cc1ccccc1)(c1ccccc1)O
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1)(Cc1ccccc1)O
• InChI: InChI=1S/C21H20O2/c1-23-20-14-12-19(13-15-20)21(22,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-15,22H,16H2,1H3
• InChIKey: HCAAXEIAGZARHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)-1,2-diphenylethan-1-ol
• IUPAC Traditional name: 1-(4-methoxyphenyl)-1,2-diphenylethanol
• Synonyms: 1-(4-methoxyphenyl)-1,2-diphenylethanol

Database IDs

• PubChem SID: 162214720
• PubChem CID: 2771866

CALCULATED PROPERTIES

• Acid pKa: 13.291006
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.6306486
• LogD (pH = 7.4): 4.6306477
• Log P: 4.6306486
• Molar Refractivity: 93.0781 cm^3
• Polarizability: 36.30085 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true