2-hydroxy-5-methoxybenzamide

• ChemBase ID: 266339
• Molecular Formular: C8H9NO3
• Molecular Mass: 167.16196
• Monoisotopic Mass: 167.05824315
• SMILES: c1(C(=O)N)c(ccc(c1)OC)O
• Canonical SMILES: COc1ccc(c(c1)C(=O)N)O
• InChI: InChI=1S/C8H9NO3/c1-12-5-2-3-7(10)6(4-5)8(9)11/h2-4,10H,1H3,(H2,9,11)
• InChIKey: VLSVEVCSHFHKEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-5-methoxybenzamide
• IUPAC Traditional name: salicylamide, 5-methoxy-
• Synonyms: 2-hydroxy-5-methoxybenzamide

Database IDs

• MDL Number: MFCD00191177
• PubChem SID: 164322249
• PubChem CID: 119977

CALCULATED PROPERTIES

• Acid pKa: 8.643155
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0123394
• LogD (pH = 7.4): 0.98868835
• Log P: 1.0126495
• Molar Refractivity: 43.5805 cm^3
• Polarizability: 16.329685 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C
• Hydrophobicity(logP): 1.338

Product Information

• Purity: 95%