[2-(difluoromethoxy)-4-methoxyphenyl]methanol

• ChemBase ID: 275341
• Molecular Formular: C9H10F2O3
• Molecular Mass: 204.1707064
• Monoisotopic Mass: 204.05980062
• SMILES: c1(OC(F)F)c(ccc(c1)OC)CO
• Canonical SMILES: COc1ccc(c(c1)OC(F)F)CO
• InChI: InChI=1S/C9H10F2O3/c1-13-7-3-2-6(5-12)8(4-7)14-9(10)11/h2-4,9,12H,5H2,1H3
• InChIKey: PAAVHLRFBDQWKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(difluoromethoxy)-4-methoxyphenyl]methanol
• IUPAC Traditional name: [2-(difluoromethoxy)-4-methoxyphenyl]methanol
• Synonyms: [2-(difluoromethoxy)-4-methoxyphenyl]methanol

Database IDs

• MDL Number: MFCD14607658
• PubChem SID: 164331251
• PubChem CID: 54593641

CALCULATED PROPERTIES

• Acid pKa: 14.674197
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8173118
• LogD (pH = 7.4): 1.8173118
• Log P: 1.8173118
• Molar Refractivity: 45.8092 cm^3
• Polarizability: 17.437023 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.558

Product Information

• Purity: 95%