N-(4-hydroxycyclohexyl)benzamide

• ChemBase ID: 117386
• Molecular Formular: C13H17NO2
• Molecular Mass: 219.27958
• Monoisotopic Mass: 219.12592879
• SMILES: C(=O)(NC1CCC(CC1)O)c1ccccc1
• Canonical SMILES: OC1CCC(CC1)NC(=O)c1ccccc1
• InChI: InChI=1S/C13H17NO2/c15-12-8-6-11(7-9-12)14-13(16)10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,14,16)
• InChIKey: BZUUTGWBZYOHDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxycyclohexyl)benzamide
• IUPAC Traditional name: N-(4-hydroxycyclohexyl)benzamide
• Synonyms: N-(4-hydroxycyclohexyl)benzamide

Database IDs

• MDL Number: MFCD07787443
• PubChem SID: 162102276
• PubChem CID: 10955049

CALCULATED PROPERTIES

• Acid pKa: 14.869191
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4601129
• LogD (pH = 7.4): 1.4601141
• Log P: 1.4601141
• Molar Refractivity: 62.7168 cm^3
• Polarizability: 24.098278 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.169

Product Information

• Purity: 95+%