(4-ethoxy-2,6-difluorophenyl)methanol

• ChemBase ID: 297084
• Molecular Formular: C9H10F2O2
• Molecular Mass: 188.1713064
• Monoisotopic Mass: 188.064886
• SMILES: CCOc1cc(c(c(c1)F)CO)F
• Canonical SMILES: CCOc1cc(F)c(c(c1)F)CO
• InChI: InChI=1S/C9H10F2O2/c1-2-13-6-3-8(10)7(5-12)9(11)4-6/h3-4,12H,2,5H2,1H3
• InChIKey: DVBOKVWHRGLKBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethoxy-2,6-difluorophenyl)methanol
• IUPAC Traditional name: (4-ethoxy-2,6-difluorophenyl)methanol
• Synonyms: 4-Ethoxy-2,6-difluorobenzyl alcohol, JRD; 4-乙氧基-2,6-二氟苯甲醇, JRD

Database IDs

• MDL Number: MFCD09258696
• PubChem SID: 180682615
• PubChem CID: 22219845

CALCULATED PROPERTIES

• Acid pKa: 14.061058
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6904366
• LogD (pH = 7.4): 1.6904365
• Log P: 1.6904366
• Molar Refractivity: 44.5185 cm^3
• Polarizability: 16.616884 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%