[5-(2,4-dichlorophenyl)furan-2-yl]methanol

• ChemBase ID: 120676
• Molecular Formular: C11H8Cl2O2
• Molecular Mass: 243.08602
• Monoisotopic Mass: 241.99013486
• SMILES: c1(c2c(cc(cc2)Cl)Cl)oc(cc1)CO
• Canonical SMILES: OCc1ccc(o1)c1ccc(cc1Cl)Cl
• InChI: InChI=1S/C11H8Cl2O2/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-14)15-11/h1-5,14H,6H2
• InChIKey: GTXVKLIDWYHAAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162215029
• PubChem CID: 720977

CALCULATED PROPERTIES

• Acid pKa: 13.75582
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0414586
• LogD (pH = 7.4): 3.0414584
• Log P: 3.0414586
• Molar Refractivity: 59.8881 cm^3
• Polarizability: 24.359152 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true