(2,3,5,6-tetrafluoro-4-methoxyphenyl)methanol

• ChemBase ID: 96892
• Molecular Formular: C8H6F4O2
• Molecular Mass: 210.1256528
• Monoisotopic Mass: 210.03039231
• SMILES: OCc1c(c(c(c(c1F)F)OC)F)F
• Canonical SMILES: COc1c(F)c(F)c(c(c1F)F)CO
• InChI: InChI=1S/C8H6F4O2/c1-14-8-6(11)4(9)3(2-13)5(10)7(8)12/h13H,2H2,1H3
• InChIKey: GJEGXOUIWJIPTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3,5,6-tetrafluoro-4-methoxyphenyl)methanol
• IUPAC Traditional name: (2,3,5,6-tetrafluoro-4-methoxyphenyl)methanol
• Synonyms: 4-Methoxy-2,3,5,6-tetrafluorobenzyl alcohol 98%

Database IDs

• MDL Number: MFCD08741397
• PubChem SID: 162083536
• PubChem CID: 11961895

CALCULATED PROPERTIES

• Acid pKa: 13.745254
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6190325
• LogD (pH = 7.4): 1.6190324
• Log P: 1.6190325
• Molar Refractivity: 40.2027 cm^3
• Polarizability: 14.623099 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true