2-hydroxy-N-(4-methylphenyl)acetamide

• ChemBase ID: 258926
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: C(=O)(Nc1ccc(cc1)C)CO
• Canonical SMILES: OCC(=O)Nc1ccc(cc1)C
• InChI: InChI=1S/C9H11NO2/c1-7-2-4-8(5-3-7)10-9(12)6-11/h2-5,11H,6H2,1H3,(H,10,12)
• InChIKey: LHRJPJZYDVQOCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-(4-methylphenyl)acetamide
• IUPAC Traditional name: 2-hydroxy-N-(4-methylphenyl)acetamide
• Synonyms: 2-hydroxy-N-(4-methylphenyl)acetamide

Database IDs

• MDL Number: MFCD08442157
• PubChem SID: 164314836
• PubChem CID: 329003

CALCULATED PROPERTIES

• Acid pKa: 13.088456
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9071295
• LogD (pH = 7.4): 0.9071287
• Log P: 0.9071295
• Molar Refractivity: 47.6644 cm^3
• Polarizability: 17.593208 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 0.996

Product Information

• Purity: 95%