3-(3-hydroxyphenyl)benzamide

• ChemBase ID: 289057
• Molecular Formular: C13H11NO2
• Molecular Mass: 213.23194
• Monoisotopic Mass: 213.0789786
• SMILES: O=C(c1cc(c2cccc(O)c2)ccc1)N
• Canonical SMILES: Oc1cccc(c1)c1cccc(c1)C(=O)N
• InChI: InChI=1S/C13H11NO2/c14-13(16)11-5-1-3-9(7-11)10-4-2-6-12(15)8-10/h1-8,15H,(H2,14,16)
• InChIKey: BQRRGDDGUKOPJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-hydroxyphenyl)benzamide
• IUPAC Traditional name: 3-(3-hydroxyphenyl)benzamide
• Synonyms: 3'-Hydroxy-[1,1'-biphenyl]-3-carboxamide

Database IDs

• CAS Number: 681161-44-4
• MDL Number: MFCD13248615
• PubChem SID: 180674588
• PubChem CID: 53218556

CALCULATED PROPERTIES

• Acid pKa: 9.824763
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.167525
• LogD (pH = 7.4): 2.1659257
• Log P: 2.167546
• Molar Refractivity: 62.2535 cm^3
• Polarizability: 24.729788 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%