2-hydroxy-4-methylbenzamide

• ChemBase ID: 252548
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: c1(C(=O)N)c(cc(cc1)C)O
• Canonical SMILES: Cc1ccc(c(c1)O)C(=O)N
• InChI: InChI=1S/C8H9NO2/c1-5-2-3-6(8(9)11)7(10)4-5/h2-4,10H,1H3,(H2,9,11)
• InChIKey: OLEJYVBTZPUQDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-4-methylbenzamide
• IUPAC Traditional name: 2-hydroxy-4-methylbenzamide
• Synonyms: 2-hydroxy-4-methylbenzamide

Database IDs

• CAS Number: 49667-22-3
• MDL Number: MFCD02683864
• PubChem SID: 164308458
• PubChem CID: 10534839

CALCULATED PROPERTIES

• Acid pKa: 8.313185
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6830795
• LogD (pH = 7.4): 1.6340724
• Log P: 1.6837422
• Molar Refractivity: 42.1585 cm^3
• Polarizability: 15.542478 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 183°C
• Hydrophobicity(logP): 1.776

Product Information

• Purity: 95%; 95+%