3-(4-chlorophenyl)cyclopent-2-en-1-ol

• ChemBase ID: 244292
• Molecular Formular: C11H11ClO
• Molecular Mass: 194.65744
• Monoisotopic Mass: 194.04984265
• SMILES: C1(=CC(CC1)O)c1ccc(cc1)Cl
• Canonical SMILES: OC1CCC(=C1)c1ccc(cc1)Cl
• InChI: InChI=1S/C11H11ClO/c12-10-4-1-8(2-5-10)9-3-6-11(13)7-9/h1-2,4-5,7,11,13H,3,6H2
• InChIKey: REKSRCNQORYVMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-chlorophenyl)cyclopent-2-en-1-ol
• IUPAC Traditional name: 3-(4-chlorophenyl)cyclopent-2-en-1-ol
• Synonyms: 3-(4-chlorophenyl)cyclopent-2-en-1-ol

Database IDs

• MDL Number: MFCD21129877
• PubChem SID: 164300202
• PubChem CID: 65174883

CALCULATED PROPERTIES

• Polarizability: 21.11414 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.857739
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.750054
• LogD (pH = 7.4): 2.750054
• Log P: 2.750054
• Molar Refractivity: 54.8189 cm^3

PROPERTIES

Physical Property

• Melting Point: 89 - 91°C
• Hydrophobicity(logP): 2.725

Product Information

• Purity: 95%