[2-(difluoromethoxy)-3-methoxyphenyl]methanol

• ChemBase ID: 275950
• Molecular Formular: C9H10F2O3
• Molecular Mass: 204.1707064
• Monoisotopic Mass: 204.05980062
• SMILES: c1(OC(F)F)c(CO)cccc1OC
• Canonical SMILES: OCc1cccc(c1OC(F)F)OC
• InChI: InChI=1S/C9H10F2O3/c1-13-7-4-2-3-6(5-12)8(7)14-9(10)11/h2-4,9,12H,5H2,1H3
• InChIKey: LGLKSCAKAQISET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(difluoromethoxy)-3-methoxyphenyl]methanol
• IUPAC Traditional name: [2-(difluoromethoxy)-3-methoxyphenyl]methanol
• Synonyms: [2-(difluoromethoxy)-3-methoxyphenyl]methanol

Database IDs

• MDL Number: MFCD08442940
• PubChem SID: 164331860
• PubChem CID: 16769722

CALCULATED PROPERTIES

• Acid pKa: 14.60695
• 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: 17.43849 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77 - 79°C
• Hydrophobicity(logP): 1.208

Product Information

• Purity: 95%