2-(4-hydroxyphenoxy)acetamide

• ChemBase ID: 277735
• Molecular Formular: C8H9NO3
• Molecular Mass: 167.16196
• Monoisotopic Mass: 167.05824315
• SMILES: C(=O)(COc1ccc(cc1)O)N
• Canonical SMILES: NC(=O)COc1ccc(cc1)O
• InChI: InChI=1S/C8H9NO3/c9-8(11)5-12-7-3-1-6(10)2-4-7/h1-4,10H,5H2,(H2,9,11)
• InChIKey: ILQRFDNWRGPIBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-hydroxyphenoxy)acetamide
• IUPAC Traditional name: 2-(4-hydroxyphenoxy)acetamide
• Synonyms: 2-(4-hydroxyphenoxy)acetamide

Database IDs

• MDL Number: MFCD00568526
• PubChem SID: 164333645
• PubChem CID: 20389333

CALCULATED PROPERTIES

• Acid pKa: 9.899571
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.1830327
• LogD (pH = 7.4): 0.18168487
• Log P: 0.18304992
• Molar Refractivity: 42.4089 cm^3
• Polarizability: 16.53562 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 156°C
• Hydrophobicity(logP): 0.069

Product Information

• Purity: 95%