[5-chloro-2-(cyclopentyloxy)phenyl]methanol

• ChemBase ID: 284959
• Molecular Formular: C12H15ClO2
• Molecular Mass: 226.6993
• Monoisotopic Mass: 226.0760574
• SMILES: c1(c(OC2CCCC2)ccc(c1)Cl)CO
• Canonical SMILES: OCc1cc(Cl)ccc1OC1CCCC1
• InChI: InChI=1S/C12H15ClO2/c13-10-5-6-12(9(7-10)8-14)15-11-3-1-2-4-11/h5-7,11,14H,1-4,8H2
• InChIKey: HWIGLGGTQAMOQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-chloro-2-(cyclopentyloxy)phenyl]methanol
• IUPAC Traditional name: [5-chloro-2-(cyclopentyloxy)phenyl]methanol
• Synonyms: [5-chloro-2-(cyclopentyloxy)phenyl]methanol

Database IDs

• MDL Number: MFCD11103208
• PubChem SID: 180670490
• PubChem CID: 43141933

CALCULATED PROPERTIES

• Acid pKa: 14.571904
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0069714
• LogD (pH = 7.4): 3.0069714
• Log P: 3.0069714
• Molar Refractivity: 60.5551 cm^3
• Polarizability: 23.802622 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.348

Product Information

• Purity: 95%