N-[3-(1-hydroxyethyl)phenyl]acetamide

• ChemBase ID: 261441
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: C(=O)(Nc1cc(C(O)C)ccc1)C
• Canonical SMILES: CC(=O)Nc1cccc(c1)C(O)C
• InChI: InChI=1S/C10H13NO2/c1-7(12)9-4-3-5-10(6-9)11-8(2)13/h3-7,12H,1-2H3,(H,11,13)
• InChIKey: YFXFFCPMIMZRNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1-hydroxyethyl)phenyl]acetamide
• IUPAC Traditional name: N-[3-(1-hydroxyethyl)phenyl]acetamide
• Synonyms: N-[3-(1-hydroxyethyl)phenyl]acetamide

Database IDs

• MDL Number: MFCD08442716
• PubChem SID: 164317351
• PubChem CID: 16769517

CALCULATED PROPERTIES

• Acid pKa: 14.128589
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.86018145
• LogD (pH = 7.4): 0.8601814
• Log P: 0.86018145
• Molar Refractivity: 52.1557 cm^3
• Polarizability: 19.502344 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103 - 105°C
• Hydrophobicity(logP): 0.432

Product Information

• Purity: 95%