2-[4-(difluoromethoxy)phenyl]ethan-1-ol

• ChemBase ID: 242999
• Molecular Formular: C9H10F2O2
• Molecular Mass: 188.1713064
• Monoisotopic Mass: 188.064886
• SMILES: C(Oc1ccc(cc1)CCO)(F)F
• Canonical SMILES: OCCc1ccc(cc1)OC(F)F
• InChI: InChI=1S/C9H10F2O2/c10-9(11)13-8-3-1-7(2-4-8)5-6-12/h1-4,9,12H,5-6H2
• InChIKey: QHCZMLWSRRFIBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(difluoromethoxy)phenyl]ethan-1-ol
• IUPAC Traditional name: 2-[4-(difluoromethoxy)phenyl]ethanol
• Synonyms: 2-[4-(difluoromethoxy)phenyl]ethan-1-ol

Database IDs

• MDL Number: MFCD09926279
• PubChem SID: 164298909
• PubChem CID: 55266238

CALCULATED PROPERTIES

• Acid pKa: 15.896704
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2636442
• LogD (pH = 7.4): 2.2636442
• Log P: 2.2636442
• Molar Refractivity: 44.101 cm^3
• Polarizability: 16.612753 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.698

Product Information

• Purity: 95%