N-(4-hydroxyphenyl)-2-methoxybenzamide

• ChemBase ID: 234725
• Molecular Formular: C14H13NO3
• Molecular Mass: 243.25792
• Monoisotopic Mass: 243.08954328
• SMILES: C(=O)(c1c(OC)cccc1)Nc1ccc(cc1)O
• Canonical SMILES: COc1ccccc1C(=O)Nc1ccc(cc1)O
• InChI: InChI=1S/C14H13NO3/c1-18-13-5-3-2-4-12(13)14(17)15-10-6-8-11(16)9-7-10/h2-9,16H,1H3,(H,15,17)
• InChIKey: LXNXWBLKTWRVII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxyphenyl)-2-methoxybenzamide
• IUPAC Traditional name: N-(4-hydroxyphenyl)-2-methoxybenzamide
• Synonyms: N-(4-hydroxyphenyl)-2-methoxybenzamide

Database IDs

• CAS Number: 54090-25-4
• MDL Number: MFCD00718498
• PubChem SID: 164290635
• PubChem CID: 1218483

CALCULATED PROPERTIES

• Acid pKa: 9.431974
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.6038435
• LogD (pH = 7.4): 2.5999029
• Log P: 2.603894
• Molar Refractivity: 70.0356 cm^3
• Polarizability: 26.057774 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172 - 174°C
• Hydrophobicity(logP): 2.114

Product Information

• Purity: 95%