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

• ChemBase ID: 305549
• Molecular Formular: C9H11NO3
• Molecular Mass: 181.18854
• Monoisotopic Mass: 181.07389322
• SMILES: c1c(cc(c(c1)NC(=O)C)O)OC
• Canonical SMILES: COc1ccc(c(c1)O)NC(=O)C
• InChI: InChI=1S/C9H11NO3/c1-6(11)10-8-4-3-7(13-2)5-9(8)12/h3-5,12H,1-2H3,(H,10,11)
• InChIKey: PHOAIOPTKPVQOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 58469-06-0

CALCULATED PROPERTIES

• Acid pKa: 8.714311
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.74945635
• LogD (pH = 7.4): 0.7292991
• Log P: 0.7497196
• Molar Refractivity: 49.3651 cm^3
• Polarizability: 18.35601 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder