2-hydroxy-1,2-bis(4-phenylphenyl)ethan-1-one

• ChemBase ID: 232995
• Molecular Formular: C26H20O2
• Molecular Mass: 364.4358
• Monoisotopic Mass: 364.14632988
• SMILES: C(=O)(C(c1ccc(cc1)c1ccccc1)O)c1ccc(cc1)c1ccccc1
• Canonical SMILES: OC(C(=O)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C26H20O2/c27-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)26(28)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,25,27H
• InChIKey: MGUZTXXISNAEDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-1,2-bis(4-phenylphenyl)ethan-1-one
• IUPAC Traditional name: 2-hydroxy-1,2-bis(4-phenylphenyl)ethanone
• Synonyms: 1,2-di-1,1'-biphenyl-4-yl-2-hydroxyethanone

Database IDs

• CAS Number: 5623-25-6
• MDL Number: MFCD01454300
• PubChem SID: 164288905
• PubChem CID: 275041

CALCULATED PROPERTIES

• Acid pKa: 12.599591
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.9445252
• LogD (pH = 7.4): 5.944523
• Log P: 5.9445252
• Molar Refractivity: 112.7933 cm^3
• Polarizability: 46.41375 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 6.155

Product Information

• Purity: 95%