4-chloro-2-cyclopentylphenol

• ChemBase ID: 165240
• Molecular Formular: C11H13ClO
• Molecular Mass: 196.67332
• Monoisotopic Mass: 196.06549272
• SMILES: c1cc(cc(c1O)C1CCCC1)Cl
• Canonical SMILES: Oc1ccc(cc1C1CCCC1)Cl
• InChI: InChI=1S/C11H13ClO/c12-9-5-6-11(13)10(7-9)8-3-1-2-4-8/h5-8,13H,1-4H2
• InChIKey: LZUKCYHMVDGDBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-cyclopentylphenol
• IUPAC Traditional name: dowicide 9
• Synonyms: 4-Chloro-2-cyclopentyl-phenol; Dowicide 9; 2-Cyclopentyl-4-chlorophenol, Technical Grade

Database IDs

• CAS Number: 13347-42-7
• PubChem SID: 162259373
• PubChem CID: 61594

CALCULATED PROPERTIES

• Acid pKa: 9.427545
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.9440947
• LogD (pH = 7.4): 3.9401124
• Log P: 3.9441457
• Molar Refractivity: 54.4343 cm^3
• Polarizability: 21.187635 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Brown Oil

Safety Information

• Storage Condition: Refrigerator