N-(4-hydroxyphenyl)cyclopropanecarboxamide

• ChemBase ID: 259096
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: C(=O)(C1CC1)Nc1ccc(cc1)O
• Canonical SMILES: O=C(C1CC1)Nc1ccc(cc1)O
• InChI: InChI=1S/C10H11NO2/c12-9-5-3-8(4-6-9)11-10(13)7-1-2-7/h3-7,12H,1-2H2,(H,11,13)
• InChIKey: KXSOFKGSZDMTNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11107953
• PubChem SID: 164315006
• PubChem CID: 28739366

CALCULATED PROPERTIES

• Acid pKa: 9.458825
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6871396
• LogD (pH = 7.4): 1.6834329
• Log P: 1.6871871
• Molar Refractivity: 50.3011 cm^3
• Polarizability: 18.768347 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 212 - 214°C
• Hydrophobicity(logP): 0.848

Product Information

• Purity: 95%