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

• ChemBase ID: 307853
• Molecular Formular: C15H20O3
• Molecular Mass: 248.3175
• Monoisotopic Mass: 248.1412445
• SMILES: c1(c(cc(cc1CC=C)C=O)OCC)OC(C)C
• Canonical SMILES: CCOc1cc(C=O)cc(c1OC(C)C)CC=C
• InChI: InChI=1S/C15H20O3/c1-5-7-13-8-12(10-16)9-14(17-6-2)15(13)18-11(3)4/h5,8-11H,1,6-7H2,2-4H3
• InChIKey: MWFZQVQXQARBMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915924-52-6
• MDL Number: MFCD08691696

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5991673
• LogD (pH = 7.4): 3.5991673
• Log P: 3.5991673
• Molar Refractivity: 73.7717 cm^3
• Polarizability: 28.061874 Å^3
• Polar Surface Area: 35.53 Å^2