(4-chlorophenyl)(cyclopropyl)methanol

• ChemBase ID: 815843
• Molecular Formular: C10H11ClO
• Molecular Mass: 182.64674
• Monoisotopic Mass: 182.04984265
• SMILES: C(O)(C1CC1)c1ccc(cc1)Cl
• Canonical SMILES: OC(c1ccc(cc1)Cl)C1CC1
• InChI: InChI=1S/C10H11ClO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10,12H,1-2H2
• InChIKey: CLKPSDBTSRWVOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(cyclopropyl)methanol
• IUPAC Traditional name: (4-chlorophenyl)(cyclopropyl)methanol
• Synonyms: 1-(4-CHLOROPHENYL)-1-CYCLOPROPANEMETHANOL

Database IDs

• CAS Number: 80866-81-5

CALCULATED PROPERTIES

• Acid pKa: 14.1873045
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.650285
• LogD (pH = 7.4): 2.650285
• Log P: 2.650285
• Molar Refractivity: 49.2909 cm^3
• Polarizability: 19.439316 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%