3-hydroxy-N-(4-methylphenyl)benzamide

• ChemBase ID: 269244
• Molecular Formular: C14H13NO2
• Molecular Mass: 227.25852
• Monoisotopic Mass: 227.09462866
• SMILES: C(=O)(Nc1ccc(cc1)C)c1cc(O)ccc1
• Canonical SMILES: Cc1ccc(cc1)NC(=O)c1cccc(c1)O
• InChI: InChI=1S/C14H13NO2/c1-10-5-7-12(8-6-10)15-14(17)11-3-2-4-13(16)9-11/h2-9,16H,1H3,(H,15,17)
• InChIKey: PTWBIHKNVHUCSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-N-(4-methylphenyl)benzamide
• IUPAC Traditional name: 3-hydroxy-N-(4-methylphenyl)benzamide
• Synonyms: 3-hydroxy-N-(4-methylphenyl)benzamide

Database IDs

• MDL Number: MFCD01017251
• PubChem SID: 164325154
• PubChem CID: 10900357

CALCULATED PROPERTIES

• Acid pKa: 8.767758
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.2747538
• LogD (pH = 7.4): 3.2568746
• Log P: 3.2749867
• Molar Refractivity: 68.6136 cm^3
• Polarizability: 25.30407 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.821

Product Information

• Purity: 95%