4-hydroxy-3-phenylbenzoic acid

• ChemBase ID: 258756
• Molecular Formular: C13H10O3
• Molecular Mass: 214.2167
• Monoisotopic Mass: 214.06299418
• SMILES: c1(cc(C(=O)O)ccc1O)c1ccccc1
• Canonical SMILES: OC(=O)c1ccc(c(c1)c1ccccc1)O
• InChI: InChI=1S/C13H10O3/c14-12-7-6-10(13(15)16)8-11(12)9-4-2-1-3-5-9/h1-8,14H,(H,15,16)
• InChIKey: LPADJMFUBXMZNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-3-phenylbenzoic acid
• IUPAC Traditional name: 4-hydroxy-3-phenylbenzoic acid
• Synonyms: 4-hydroxy-3-phenylbenzoic acid

Database IDs

• MDL Number: MFCD09042430
• PubChem SID: 164314666
• PubChem CID: 11586549

CALCULATED PROPERTIES

• Acid pKa: 4.3147717
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7637075
• LogD (pH = 7.4): 0.01789253
• Log P: 2.9744887
• Molar Refractivity: 60.4313 cm^3
• Polarizability: 24.209997 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142 - 144°C
• Hydrophobicity(logP): 2.945

Product Information

• Purity: 95%