[4-(difluoromethoxy)-3-ethoxyphenyl]methanol

• ChemBase ID: 254462
• Molecular Formular: C10H12F2O3
• Molecular Mass: 218.1972864
• Monoisotopic Mass: 218.07545068
• SMILES: c1(OC(F)F)c(cc(cc1)CO)OCC
• Canonical SMILES: CCOc1cc(CO)ccc1OC(F)F
• InChI: InChI=1S/C10H12F2O3/c1-2-14-9-5-7(6-13)3-4-8(9)15-10(11)12/h3-5,10,13H,2,6H2,1H3
• InChIKey: VXMJDFNIBAXTPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(difluoromethoxy)-3-ethoxyphenyl]methanol
• IUPAC Traditional name: [4-(difluoromethoxy)-3-ethoxyphenyl]methanol
• Synonyms: [4-(difluoromethoxy)-3-ethoxyphenyl]methanol

Database IDs

• MDL Number: MFCD06202711
• PubChem SID: 164310372
• PubChem CID: 16769615

CALCULATED PROPERTIES

• Acid pKa: 14.925842
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1741197
• LogD (pH = 7.4): 2.1741197
• Log P: 2.1741197
• Molar Refractivity: 50.5578 cm^3
• Polarizability: 19.243387 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.737

Product Information

• Purity: 95%