2-(3-hydroxyphenoxy)acetamide

• ChemBase ID: 243122
• Molecular Formular: C8H9NO3
• Molecular Mass: 167.16196
• Monoisotopic Mass: 167.05824315
• SMILES: C(=O)(COc1cc(O)ccc1)N
• Canonical SMILES: NC(=O)COc1cccc(c1)O
• InChI: InChI=1S/C8H9NO3/c9-8(11)5-12-7-3-1-2-6(10)4-7/h1-4,10H,5H2,(H2,9,11)
• InChIKey: IEOUNZNZDHSLMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-hydroxyphenoxy)acetamide
• IUPAC Traditional name: 2-(3-hydroxyphenoxy)acetamide
• Synonyms: 2-(3-hydroxyphenoxy)acetamide

Database IDs

• MDL Number: MFCD11103457
• PubChem SID: 164299032
• PubChem CID: 21536222

CALCULATED PROPERTIES

• Acid pKa: 9.472129
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.1830039
• LogD (pH = 7.4): 0.17940955
• Log P: 0.18304992
• Molar Refractivity: 42.4089 cm^3
• Polarizability: 16.53651 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136°C
• Hydrophobicity(logP): 0.069

Product Information

• Purity: 95%