4-hydroxy-N-(propan-2-yl)benzamide

• ChemBase ID: 310668
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: C(=O)(NC(C)C)c1ccc(cc1)O
• Canonical SMILES: CC(NC(=O)c1ccc(cc1)O)C
• InChI: InChI=1S/C10H13NO2/c1-7(2)11-10(13)8-3-5-9(12)6-4-8/h3-7,12H,1-2H3,(H,11,13)
• InChIKey: GOCVDDAVCVFQMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-N-(propan-2-yl)benzamide
• IUPAC Traditional name: 4-hydroxy-N-isopropylbenzamide
• Synonyms: 4-hydroxy-N-isopropylbenzamide

Database IDs

• CAS Number: 83191-67-7
• MDL Number: MFCD00563307

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5169238
• LogD (pH = 7.4): 1.4826095
• Log P: 1.5173799
• Molar Refractivity: 51.1814 cm^3
• Polarizability: 19.288609 Å^3
• Polar Surface Area: 49.33 Å^2