(2-chlorocyclopropyl)methanol

• ChemBase ID: 240678
• Molecular Formular: C4H7ClO
• Molecular Mass: 106.55078
• Monoisotopic Mass: 106.01854252
• SMILES: C1(C(C1)Cl)CO
• Canonical SMILES: OCC1CC1Cl
• InChI: InChI=1S/C4H7ClO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2
• InChIKey: FXUQPSPDDULYHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorocyclopropyl)methanol
• IUPAC Traditional name: (2-chlorocyclopropyl)methanol
• Synonyms: (2-chlorocyclopropyl)methanol

Database IDs

• MDL Number: MFCD20623372
• PubChem SID: 164296588
• PubChem CID: 13399521

CALCULATED PROPERTIES

• Acid pKa: 15.421136
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.27143025
• LogD (pH = 7.4): 0.27143025
• Log P: 0.27143025
• Molar Refractivity: 24.825 cm^3
• Polarizability: 9.870381 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.422

Product Information

• Purity: 95%