4-ethoxy-3,5-dimethoxybenzaldehyde

• ChemBase ID: 264956
• Molecular Formular: C11H14O4
• Molecular Mass: 210.22646
• Monoisotopic Mass: 210.08920893
• SMILES: c1(c(cc(cc1OC)C=O)OC)OCC
• Canonical SMILES: CCOc1c(OC)cc(cc1OC)C=O
• InChI: InChI=1S/C11H14O4/c1-4-15-11-9(13-2)5-8(7-12)6-10(11)14-3/h5-7H,4H2,1-3H3
• InChIKey: MIYBTGCYUACEIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-3,5-dimethoxybenzaldehyde
• IUPAC Traditional name: 4-ethoxy-3,5-dimethoxybenzaldehyde
• Synonyms: 4-ethoxy-3,5-dimethoxybenzaldehyde

Database IDs

• MDL Number: MFCD03035730
• PubChem SID: 164320866
• PubChem CID: 4771099

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5695423
• LogD (pH = 7.4): 1.5695423
• Log P: 1.5695423
• Molar Refractivity: 56.7802 cm^3
• Polarizability: 21.642103 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48 - 50°C
• Hydrophobicity(logP): 1.579

Product Information

• Purity: 95%