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

• ChemBase ID: 118333
• Molecular Formular: C9H11NO3
• Molecular Mass: 181.18854
• Monoisotopic Mass: 181.07389322
• SMILES: C(=O)(Nc1ccc(cc1)OC)CO
• Canonical SMILES: OCC(=O)Nc1ccc(cc1)OC
• InChI: InChI=1S/C9H11NO3/c1-13-8-4-2-7(3-5-8)10-9(12)6-11/h2-5,11H,6H2,1H3,(H,10,12)
• InChIKey: MUUVCWAOWGVZON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10048407
• PubChem SID: 162102947
• PubChem CID: 12713028

CALCULATED PROPERTIES

• Acid pKa: 13.19697
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.23603687
• LogD (pH = 7.4): 0.2360362
• Log P: 0.23603687
• Molar Refractivity: 49.0864 cm^3
• Polarizability: 18.369303 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.333

Product Information

• Purity: 95+%