[5-(4-chlorophenyl)furan-2-yl]methanol

• ChemBase ID: 120678
• Molecular Formular: C11H9ClO2
• Molecular Mass: 208.64096
• Monoisotopic Mass: 208.02910721
• SMILES: c1(oc(cc1)CO)c1ccc(cc1)Cl
• Canonical SMILES: OCc1ccc(o1)c1ccc(cc1)Cl
• InChI: InChI=1S/C11H9ClO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7H2
• InChIKey: PMHZVTQIEAIJBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(4-chlorophenyl)furan-2-yl]methanol
• IUPAC Traditional name: [5-(4-chlorophenyl)furan-2-yl]methanol
• Synonyms: (5-(4-chlorophenyl)furan-2-yl)methanol

Database IDs

• PubChem SID: 162215031
• PubChem CID: 738660

CALCULATED PROPERTIES

• Acid pKa: 13.773897
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.437414
• LogD (pH = 7.4): 2.4374137
• Log P: 2.437414
• Molar Refractivity: 55.0833 cm^3
• Polarizability: 22.460176 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true