3-ethoxy-5-(prop-2-en-1-yl)-4-(prop-2-en-1-yloxy)benzaldehyde

• ChemBase ID: 311609
• Molecular Formular: C15H18O3
• Molecular Mass: 246.30162
• Monoisotopic Mass: 246.12559444
• SMILES: c1(c(cc(cc1CC=C)C=O)OCC)OCC=C
• Canonical SMILES: C=CCOc1c(CC=C)cc(cc1OCC)C=O
• InChI: InChI=1S/C15H18O3/c1-4-7-13-9-12(11-16)10-14(17-6-3)15(13)18-8-5-2/h4-5,9-11H,1-2,6-8H2,3H3
• InChIKey: JQCZHNODHHLSGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-5-(prop-2-en-1-yl)-4-(prop-2-en-1-yloxy)benzaldehyde
• IUPAC Traditional name: 3-ethoxy-5-(prop-2-en-1-yl)-4-(prop-2-en-1-yloxy)benzaldehyde
• Synonyms: 3-allyl-4-(allyloxy)-5-ethoxybenzaldehyde

Database IDs

• CAS Number: 915920-67-1
• MDL Number: MFCD07431465

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5570343
• LogD (pH = 7.4): 3.5570343
• Log P: 3.5570343
• Molar Refractivity: 73.767 cm^3
• Polarizability: 27.82196 Å^3
• Polar Surface Area: 35.53 Å^2