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

• ChemBase ID: 307852
• Molecular Formular: C15H20O3
• Molecular Mass: 248.3175
• Monoisotopic Mass: 248.1412445
• SMILES: c1(c(cc(cc1CC=C)C=O)OCC)OCCC
• Canonical SMILES: CCCOc1c(CC=C)cc(cc1OCC)C=O
• InChI: InChI=1S/C15H20O3/c1-4-7-13-9-12(11-16)10-14(17-6-3)15(13)18-8-5-2/h4,9-11H,1,5-8H2,2-3H3
• InChIKey: BMESCLKAQSWNNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-5-(prop-2-en-1-yl)-4-propoxybenzaldehyde
• IUPAC Traditional name: 3-ethoxy-5-(prop-2-en-1-yl)-4-propoxybenzaldehyde
• Synonyms: 3-allyl-5-ethoxy-4-propoxybenzaldehyde

Database IDs

• CAS Number: 915920-39-7
• MDL Number: MFCD08691695

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7051146
• LogD (pH = 7.4): 3.7051146
• Log P: 3.7051146
• Molar Refractivity: 73.8769 cm^3
• Polarizability: 28.062014 Å^3
• Polar Surface Area: 35.53 Å^2