2-(2-chlorophenyl)cyclobutan-1-ol

• ChemBase ID: 276695
• Molecular Formular: C10H11ClO
• Molecular Mass: 182.64674
• Monoisotopic Mass: 182.04984265
• SMILES: C1(c2c(Cl)cccc2)CCC1O
• Canonical SMILES: OC1CCC1c1ccccc1Cl
• InChI: InChI=1S/C10H11ClO/c11-9-4-2-1-3-7(9)8-5-6-10(8)12/h1-4,8,10,12H,5-6H2
• InChIKey: VSFPTOLRJPBHKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)cyclobutan-1-ol
• IUPAC Traditional name: 2-(2-chlorophenyl)cyclobutan-1-ol
• Synonyms: 2-(2-chlorophenyl)cyclobutan-1-ol

Database IDs

• MDL Number: MFCD19382277
• PubChem SID: 164332605
• PubChem CID: 54594309

CALCULATED PROPERTIES

• Acid pKa: 14.983445
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4943776
• LogD (pH = 7.4): 2.4943776
• Log P: 2.4943776
• Molar Refractivity: 49.4449 cm^3
• Polarizability: 19.368269 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.42

Product Information

• Purity: 95%