[2,4-bis(difluoromethoxy)phenyl]methanol

• ChemBase ID: 254599
• Molecular Formular: C9H8F4O3
• Molecular Mass: 240.1516328
• Monoisotopic Mass: 240.040957
• SMILES: c1(OC(F)F)cc(OC(F)F)ccc1CO
• Canonical SMILES: OCc1ccc(cc1OC(F)F)OC(F)F
• InChI: InChI=1S/C9H8F4O3/c10-8(11)15-6-2-1-5(4-14)7(3-6)16-9(12)13/h1-3,8-9,14H,4H2
• InChIKey: NZHFPWSFMUZZQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,4-bis(difluoromethoxy)phenyl]methanol
• IUPAC Traditional name: [2,4-bis(difluoromethoxy)phenyl]methanol
• Synonyms: [2,4-bis(difluoromethoxy)phenyl]methanol

Database IDs

• MDL Number: MFCD08442314
• PubChem SID: 164310509
• PubChem CID: 16769155

CALCULATED PROPERTIES

• Acid pKa: 14.646089
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.74407
• LogD (pH = 7.4): 2.74407
• Log P: 2.74407
• Molar Refractivity: 45.8181 cm^3
• Polarizability: 17.293232 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.004

Product Information

• Purity: 95%