1,2-diphenylethan-1-ol

• ChemBase ID: 264020
• Molecular Formular: C14H14O
• Molecular Mass: 198.26036
• Monoisotopic Mass: 198.10446507
• SMILES: C(Cc1ccccc1)(c1ccccc1)O
• Canonical SMILES: OC(c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C14H14O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14-15H,11H2
• InChIKey: GBGXVCNOKWAMIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-diphenylethan-1-ol
• IUPAC Traditional name: benzeneethanol, α-phenyl-
• Synonyms: 1,2-diphenylethan-1-ol

Database IDs

• MDL Number: MFCD00021859
• PubChem SID: 164319930
• PubChem CID: 94178

CALCULATED PROPERTIES

• Acid pKa: 14.373932
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2787974
• LogD (pH = 7.4): 3.2787974
• Log P: 3.2787974
• Molar Refractivity: 61.9117 cm^3
• Polarizability: 24.196022 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65 - 67°C
• Hydrophobicity(logP): 2.981

Product Information

• Purity: 95%