2-hydroxy-N-phenylpropanamide

• ChemBase ID: 237259
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: C(=O)(Nc1ccccc1)C(O)C
• Canonical SMILES: CC(C(=O)Nc1ccccc1)O
• InChI: InChI=1S/C9H11NO2/c1-7(11)9(12)10-8-5-3-2-4-6-8/h2-7,11H,1H3,(H,10,12)
• InChIKey: NXHFPNVCAZMTSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-phenylpropanamide
• IUPAC Traditional name: 2-hydroxy-N-phenylpropanamide
• Synonyms: 2-hydroxy-N-phenylpropanamide

Database IDs

• MDL Number: MFCD00069045
• PubChem SID: 164293169
• PubChem CID: 223943

CALCULATED PROPERTIES

• Acid pKa: 12.774667
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9624724
• LogD (pH = 7.4): 0.9624706
• Log P: 0.9624724
• Molar Refractivity: 47.1171 cm^3
• Polarizability: 17.66969 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52 - 54°C
• Hydrophobicity(logP): 0.806

Product Information

• Purity: 95%