3-(3-chlorophenyl)cyclobutan-1-ol

• ChemBase ID: 242198
• Molecular Formular: C10H11ClO
• Molecular Mass: 182.64674
• Monoisotopic Mass: 182.04984265
• SMILES: C1(c2cc(Cl)ccc2)CC(C1)O
• Canonical SMILES: OC1CC(C1)c1cccc(c1)Cl
• InChI: InChI=1S/C10H11ClO/c11-9-3-1-2-7(4-9)8-5-10(12)6-8/h1-4,8,10,12H,5-6H2
• InChIKey: XRENHEYMBXIJNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-chlorophenyl)cyclobutan-1-ol
• IUPAC Traditional name: 3-(3-chlorophenyl)cyclobutan-1-ol
• Synonyms: 3-(3-chlorophenyl)cyclobutan-1-ol

Database IDs

• MDL Number: MFCD12152573
• PubChem SID: 164298108
• PubChem CID: 60792575

CALCULATED PROPERTIES

• Acid pKa: 15.500825
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4164238
• LogD (pH = 7.4): 2.4164238
• Log P: 2.4164238
• Molar Refractivity: 49.5219 cm^3
• Polarizability: 19.367752 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.27

Product Information

• Purity: 95%