3-ethoxy-4-[2-(1H-imidazol-1-yl)ethoxy]benzaldehyde

• ChemBase ID: 312582
• Molecular Formular: C14H16N2O3
• Molecular Mass: 260.28844
• Monoisotopic Mass: 260.11609238
• SMILES: n1cn(cc1)CCOc1c(cc(C=O)cc1)OCC
• Canonical SMILES: CCOc1cc(C=O)ccc1OCCn1cncc1
• InChI: InChI=1S/C14H16N2O3/c1-2-18-14-9-12(10-17)3-4-13(14)19-8-7-16-6-5-15-11-16/h3-6,9-11H,2,7-8H2,1H3
• InChIKey: UVCLITZUVUXDSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-4-[2-(1H-imidazol-1-yl)ethoxy]benzaldehyde
• IUPAC Traditional name: 3-ethoxy-4-[2-(imidazol-1-yl)ethoxy]benzaldehyde
• Synonyms: 3-ethoxy-4-[2-(1H-imidazol-1-yl)ethoxy]benzaldehyde

Database IDs

• MDL Number: MFCD08691968

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1033586
• LogD (pH = 7.4): 1.5678028
• Log P: 1.6341405
• Molar Refractivity: 72.2575 cm^3
• Polarizability: 27.281141 Å^3
• Polar Surface Area: 53.35 Å^2