2-(2-phenylphenyl)acetic acid

• ChemBase ID: 294847
• Molecular Formular: C14H12O2
• Molecular Mass: 212.24388
• Monoisotopic Mass: 212.08372962
• SMILES: O=C(O)Cc1ccccc1c1ccccc1
• Canonical SMILES: OC(=O)Cc1ccccc1c1ccccc1
• InChI: InChI=1S/C14H12O2/c15-14(16)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
• InChIKey: YWPABLWXCWUIIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylphenyl)acetic acid
• IUPAC Traditional name: (2-phenylphenyl)acetic acid
• Synonyms: 2-([1,1'-Biphenyl]-2-yl)acetic acid

Database IDs

• CAS Number: 14676-52-9
• MDL Number: MFCDN/A62N/A846N/A
• PubChem SID: 180680378
• PubChem CID: 263373

CALCULATED PROPERTIES

• Acid pKa: 4.80087
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4805763
• LogD (pH = 7.4): 0.70620584
• Log P: 3.2582195
• Molar Refractivity: 62.5018 cm^3
• Polarizability: 25.514906 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%