3-ethoxy-4-[(2-methylprop-2-en-1-yl)oxy]benzaldehyde

• ChemBase ID: 312438
• Molecular Formular: C13H16O3
• Molecular Mass: 220.26434
• Monoisotopic Mass: 220.10994437
• SMILES: c1(c(OCC(=C)C)ccc(c1)C=O)OCC
• Canonical SMILES: CCOc1cc(C=O)ccc1OCC(=C)C
• InChI: InChI=1S/C13H16O3/c1-4-15-13-7-11(8-14)5-6-12(13)16-9-10(2)3/h5-8H,2,4,9H2,1,3H3
• InChIKey: GJMOOYUPIDSNJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-4-[(2-methylprop-2-en-1-yl)oxy]benzaldehyde
• IUPAC Traditional name: 3-ethoxy-4-[(2-methylprop-2-en-1-yl)oxy]benzaldehyde
• Synonyms: 3-ethoxy-4-[(2-methyl-2-propen-1-yl)oxy]benzaldehyde

Database IDs

• CAS Number: 363186-13-4
• MDL Number: MFCD08691925

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7018247
• LogD (pH = 7.4): 2.7018247
• Log P: 2.7018247
• Molar Refractivity: 63.7617 cm^3
• Polarizability: 24.380306 Å^3
• Polar Surface Area: 35.53 Å^2