N-[2-(4-hydroxyphenyl)ethyl]acetamide

• ChemBase ID: 287397
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: CC(=O)NCCc1ccc(O)cc1
• Canonical SMILES: CC(=O)NCCc1ccc(cc1)O
• InChI: InChI=1S/C10H13NO2/c1-8(12)11-7-6-9-2-4-10(13)5-3-9/h2-5,13H,6-7H2,1H3,(H,11,12)
• InChIKey: ATDWJOOPFDQZNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-hydroxyphenyl)ethyl]acetamide
• IUPAC Traditional name: N-[2-(4-hydroxyphenyl)ethyl]acetamide
• Synonyms: N-(4-Hydroxyphenethyl)acetamide

Database IDs

• CAS Number: 1202-66-0
• MDL Number: MFCD01670887
• PubChem SID: 180672928
• PubChem CID: 121051

CALCULATED PROPERTIES

• Acid pKa: 9.504587
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.902914
• LogD (pH = 7.4): 0.89957637
• Log P: 0.9029567
• Molar Refractivity: 50.7111 cm^3
• Polarizability: 19.50395 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%