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

• ChemBase ID: 58802
• Molecular Formular: C20H17ClO
• Molecular Mass: 308.80138
• Monoisotopic Mass: 308.09679284
• SMILES: c1(ccc(cc1)CC(c1ccccc1)(c1ccccc1)O)Cl
• Canonical SMILES: Clc1ccc(cc1)CC(c1ccccc1)(c1ccccc1)O
• InChI: InChI=1S/C20H17ClO/c21-19-13-11-16(12-14-19)15-20(22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,22H,15H2
• InChIKey: GKNSRWXOHBCRTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-1,1-diphenylethan-1-ol
• IUPAC Traditional name: 2-(4-chlorophenyl)-1,1-diphenylethanol
• Synonyms: 2-(4-Chlorophenyl)-1,1-diphenylethanol; 2-(4-Chlorophenyl)-1,1-diphenylethanol; 2-(4-氯苯基)-1,1-联苯基乙醇

Database IDs

• CAS Number: 109936-21-2
• MDL Number: MFCD00017507
• PubChem SID: 162063565
• PubChem CID: 1268061

CALCULATED PROPERTIES

• Acid pKa: 13.27831
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.3923645
• LogD (pH = 7.4): 5.3923635
• Log P: 5.3923645
• Molar Refractivity: 91.4197 cm^3
• Polarizability: 35.618694 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C20H17ClO