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

• ChemBase ID: 275951
• Molecular Formular: C8H7ClF2O2
• Molecular Mass: 208.5897864
• Monoisotopic Mass: 208.01026358
• SMILES: c1(c(OC(F)F)ccc(c1)Cl)CO
• Canonical SMILES: OCc1cc(Cl)ccc1OC(F)F
• InChI: InChI=1S/C8H7ClF2O2/c9-6-1-2-7(13-8(10)11)5(3-6)4-12/h1-3,8,12H,4H2
• InChIKey: WRCKBMKBPHCJSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06202710
• PubChem SID: 164331861
• PubChem CID: 43141878

CALCULATED PROPERTIES

• Acid pKa: 14.536773
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5790277
• LogD (pH = 7.4): 2.5790277
• Log P: 2.5790277
• Molar Refractivity: 44.1508 cm^3
• Polarizability: 16.853329 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.322

Product Information

• Purity: 95%