N-(4-hydroxyphenyl)cyclohexanecarboxamide

• ChemBase ID: 272968
• Molecular Formular: C13H17NO2
• Molecular Mass: 219.27958
• Monoisotopic Mass: 219.12592879
• SMILES: C(=O)(Nc1ccc(cc1)O)C1CCCCC1
• Canonical SMILES: O=C(C1CCCCC1)Nc1ccc(cc1)O
• InChI: InChI=1S/C13H17NO2/c15-12-8-6-11(7-9-12)14-13(16)10-4-2-1-3-5-10/h6-10,15H,1-5H2,(H,14,16)
• InChIKey: SPELRQCTCINJTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxyphenyl)cyclohexanecarboxamide
• IUPAC Traditional name: N-(4-hydroxyphenyl)cyclohexanecarboxamide
• Synonyms: N-(4-hydroxyphenyl)cyclohexanecarboxamide

Database IDs

• MDL Number: MFCD02674231
• PubChem SID: 164328878
• PubChem CID: 4056004

CALCULATED PROPERTIES

• Acid pKa: 9.458825
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.0208457
• LogD (pH = 7.4): 3.017139
• Log P: 3.020893
• Molar Refractivity: 64.1041 cm^3
• Polarizability: 24.287807 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.525

Product Information

• Purity: 95%