2-hydroxy-N-(4-phenoxyphenyl)acetamide

• ChemBase ID: 267946
• Molecular Formular: C14H13NO3
• Molecular Mass: 243.25792
• Monoisotopic Mass: 243.08954328
• SMILES: C(=O)(Nc1ccc(Oc2ccccc2)cc1)CO
• Canonical SMILES: OCC(=O)Nc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C14H13NO3/c16-10-14(17)15-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9,16H,10H2,(H,15,17)
• InChIKey: ZATKSUUOVIAFPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-(4-phenoxyphenyl)acetamide
• IUPAC Traditional name: 2-hydroxy-N-(4-phenoxyphenyl)acetamide
• Synonyms: 2-hydroxy-N-(4-phenoxyphenyl)acetamide

Database IDs

• MDL Number: MFCD08442499
• PubChem SID: 164323856
• PubChem CID: 16769317

CALCULATED PROPERTIES

• Acid pKa: 13.1185255
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8939953
• LogD (pH = 7.4): 1.8939946
• Log P: 1.8939953
• Molar Refractivity: 68.864 cm^3
• Polarizability: 26.151802 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 2.595

Product Information

• Purity: 95%