N-cyclopropyl-4-hydroxybenzamide

• ChemBase ID: 116165
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: C(=O)(NC1CC1)c1ccc(cc1)O
• Canonical SMILES: O=C(c1ccc(cc1)O)NC1CC1
• InChI: InChI=1S/C10H11NO2/c12-9-5-1-7(2-6-9)10(13)11-8-3-4-8/h1-2,5-6,8,12H,3-4H2,(H,11,13)
• InChIKey: PJZGKFIQQGYRGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-hydroxybenzamide
• IUPAC Traditional name: N-cyclopropyl-4-hydroxybenzamide
• Synonyms: N-cyclopropyl-4-hydroxybenzamide

Database IDs

• MDL Number: MFCD11130694
• PubChem SID: 162101540
• PubChem CID: 28390708

CALCULATED PROPERTIES

• Acid pKa: 8.475628
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2091048
• LogD (pH = 7.4): 1.1747589
• Log P: 1.2095613
• Molar Refractivity: 49.2252 cm^3
• Polarizability: 18.565834 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.55
• Hydrophobicity(logP): 0.887

Product Information

• Purity: 95%; 95+%