N-(4-acetyl-2-hydroxyphenyl)acetamide

• ChemBase ID: 250838
• Molecular Formular: C10H11NO3
• Molecular Mass: 193.19924
• Monoisotopic Mass: 193.07389322
• SMILES: N(c1c(cc(C(=O)C)cc1)O)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1O)C(=O)C
• InChI: InChI=1S/C10H11NO3/c1-6(12)8-3-4-9(10(14)5-8)11-7(2)13/h3-5,14H,1-2H3,(H,11,13)
• InChIKey: XCANEMZIBXOIIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07689453
• PubChem SID: 164306748
• PubChem CID: 7131557

CALCULATED PROPERTIES

• Acid pKa: 8.197144
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.46417326
• LogD (pH = 7.4): 0.40125018
• Log P: 0.4650384
• Molar Refractivity: 53.3047 cm^3
• Polarizability: 19.572247 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210 - 212°C
• Hydrophobicity(logP): 0.844

Product Information

• Purity: 95%