(3,4-difluoro-5-methoxyphenyl)methanol

• ChemBase ID: 812293
• Molecular Formular: C8H8F2O2
• Molecular Mass: 174.1447264
• Monoisotopic Mass: 174.04923594
• SMILES: C(O)c1cc(c(c(c1)F)F)OC
• Canonical SMILES: COc1cc(CO)cc(c1F)F
• InChI: InChI=1S/C8H8F2O2/c1-12-7-3-5(4-11)2-6(9)8(7)10/h2-3,11H,4H2,1H3
• InChIKey: JERMCFDXSJJJSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4-difluoro-5-methoxyphenyl)methanol
• IUPAC Traditional name: (3,4-difluoro-5-methoxyphenyl)methanol
• Synonyms: 4,5-DIFLUORO-3-METHOXYBENZENEMETHANOL

CALCULATED PROPERTIES

• Acid pKa: 14.739025
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3336287
• LogD (pH = 7.4): 1.3336287
• Log P: 1.3336287
• Molar Refractivity: 39.7699 cm^3
• Polarizability: 14.809851 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%