[1-(3-chlorophenyl)cyclopropyl]methanol

• ChemBase ID: 806841
• Molecular Formular: C10H11ClO
• Molecular Mass: 182.64674
• Monoisotopic Mass: 182.04984265
• SMILES: C(O)C1(CC1)c1cc(ccc1)Cl
• Canonical SMILES: OCC1(CC1)c1cccc(c1)Cl
• InChI: InChI=1S/C10H11ClO/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6,12H,4-5,7H2
• InChIKey: XLVSRCZMJAGGES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-chlorophenyl)cyclopropyl]methanol
• IUPAC Traditional name: [1-(3-chlorophenyl)cyclopropyl]methanol
• Synonyms: [1-(3-CHLORO-PHENYL)-CYCLOPROPYL]-METHANOL

Database IDs

• CAS Number: 98480-33-2

CALCULATED PROPERTIES

• Acid pKa: 14.998016
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3778498
• LogD (pH = 7.4): 2.3778496
• Log P: 2.3778498
• Molar Refractivity: 49.5012 cm^3
• Polarizability: 19.36572 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%