2-(2-methoxyphenyl)acetamide

• ChemBase ID: 270419
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: C(=O)(Cc1c(OC)cccc1)N
• Canonical SMILES: COc1ccccc1CC(=O)N
• InChI: InChI=1S/C9H11NO2/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
• InChIKey: QHOOQLXZKWMYCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)acetamide
• IUPAC Traditional name: 2-(2-methoxyphenyl)acetamide
• Synonyms: 2-(2-methoxyphenyl)acetamide

Database IDs

• MDL Number: MFCD01196672
• PubChem SID: 164326329
• PubChem CID: 80662

CALCULATED PROPERTIES

• Acid pKa: 16.040281
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.64638025
• LogD (pH = 7.4): 0.64638025
• Log P: 0.64638025
• Molar Refractivity: 45.651 cm^3
• Polarizability: 17.734652 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 129°C
• Hydrophobicity(logP): 0.373

Product Information

• Purity: 95%