2-oxo-2-(4-phenylphenyl)acetic acid

• ChemBase ID: 271757
• Molecular Formular: C14H10O3
• Molecular Mass: 226.2274
• Monoisotopic Mass: 226.06299418
• SMILES: C(=O)(C(=O)O)c1ccc(cc1)c1ccccc1
• Canonical SMILES: OC(=O)C(=O)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C14H10O3/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,16,17)
• InChIKey: DRFCZRDAUHIVIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-2-(4-phenylphenyl)acetic acid
• IUPAC Traditional name: oxo(4-phenylphenyl)acetic acid
• Synonyms: 2-oxo-2-(4-phenylphenyl)acetic acid

Database IDs

• MDL Number: MFCD11179638
• PubChem SID: 164327667
• PubChem CID: 226136

CALCULATED PROPERTIES

• Acid pKa: 3.1943705
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.85505366
• LogD (pH = 7.4): -0.3087298
• Log P: 3.137713
• Molar Refractivity: 63.3919 cm^3
• Polarizability: 25.520405 Å^3
• Polar Surface Area: 54.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.583

Product Information

• Purity: 95%