4-hydroxy-N-phenylbenzamide

• ChemBase ID: 248114
• Molecular Formular: C13H11NO2
• Molecular Mass: 213.23194
• Monoisotopic Mass: 213.0789786
• SMILES: C(=O)(Nc1ccccc1)c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C13H11NO2/c15-12-8-6-10(7-9-12)13(16)14-11-4-2-1-3-5-11/h1-9,15H,(H,14,16)
• InChIKey: RMHMYTLAUXIOPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-N-phenylbenzamide
• IUPAC Traditional name: 4-hydroxy-N-phenylbenzamide
• Synonyms: 4-hydroxy-N-phenylbenzamide

Database IDs

• MDL Number: MFCD01017298
• PubChem SID: 164304024
• PubChem CID: 564716

CALCULATED PROPERTIES

• Acid pKa: 8.606595
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7612278
• LogD (pH = 7.4): 2.7355623
• Log P: 2.7615652
• Molar Refractivity: 63.5724 cm^3
• Polarizability: 23.538612 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 195 - 197°C
• Hydrophobicity(logP): 2.322

Product Information

• Purity: 95%