N-[4-(2-hydroxyethyl)phenyl]acetamide

• ChemBase ID: 270806
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: C(=O)(Nc1ccc(cc1)CCO)C
• Canonical SMILES: OCCc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C10H13NO2/c1-8(13)11-10-4-2-9(3-5-10)6-7-12/h2-5,12H,6-7H2,1H3,(H,11,13)
• InChIKey: VYEJXTZQKRHBHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(2-hydroxyethyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-(2-hydroxyethyl)phenyl]acetamide
• Synonyms: N-[4-(2-hydroxyethyl)phenyl]acetamide

Database IDs

• CAS Number: 83345-11-3
• MDL Number: MFCD01536093
• PubChem SID: 164326716
• PubChem CID: 3295905

CALCULATED PROPERTIES

• Acid pKa: 14.587703
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.7322676
• LogD (pH = 7.4): 0.7322676
• Log P: 0.7322676
• Molar Refractivity: 52.4919 cm^3
• Polarizability: 19.429897 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106 - 108°C
• Hydrophobicity(logP): 0.352

Product Information

• Purity: 95%