N-(3-hydroxyphenyl)butanamide

• ChemBase ID: 307695
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: C(=O)(Nc1cc(O)ccc1)CCC
• Canonical SMILES: CCCC(=O)Nc1cccc(c1)O
• InChI: InChI=1S/C10H13NO2/c1-2-4-10(13)11-8-5-3-6-9(12)7-8/h3,5-7,12H,2,4H2,1H3,(H,11,13)
• InChIKey: FMRBYRAQTPTELH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxyphenyl)butanamide
• IUPAC Traditional name: N-(3-hydroxyphenyl)butanamide
• Synonyms: N-(3-hydroxyphenyl)butanamide

Database IDs

• CAS Number: 21556-79-6
• MDL Number: MFCD00460472

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0524163
• LogD (pH = 7.4): 2.0462608
• Log P: 2.0524955
• Molar Refractivity: 52.1298 cm^3
• Polarizability: 19.493635 Å^3
• Polar Surface Area: 49.33 Å^2