2-(difluoromethoxy)-4-methoxybenzaldehyde

• ChemBase ID: 275144
• Molecular Formular: C9H8F2O3
• Molecular Mass: 202.1548264
• Monoisotopic Mass: 202.04415056
• SMILES: c1(c(ccc(c1)OC)C=O)OC(F)F
• Canonical SMILES: COc1ccc(c(c1)OC(F)F)C=O
• InChI: InChI=1S/C9H8F2O3/c1-13-7-3-2-6(5-12)8(4-7)14-9(10)11/h2-5,9H,1H3
• InChIKey: MOOKIJWUMFKXMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethoxy)-4-methoxybenzaldehyde
• IUPAC Traditional name: 2-(difluoromethoxy)-4-methoxybenzaldehyde
• Synonyms: 2-(difluoromethoxy)-4-methoxybenzaldehyde

Database IDs

• MDL Number: MFCD14607629
• PubChem SID: 164331054
• PubChem CID: 54083186

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.297164
• LogD (pH = 7.4): 2.297164
• Log P: 2.297164
• Molar Refractivity: 45.5773 cm^3
• Polarizability: 16.898483 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.246

Product Information

• Purity: 95%