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

• ChemBase ID: 311529
• Molecular Formular: C14H16O3
• Molecular Mass: 232.27504
• Monoisotopic Mass: 232.10994437
• SMILES: c1(c(cc(cc1CC=C)C=O)OC)OCC=C
• Canonical SMILES: C=CCOc1c(CC=C)cc(cc1OC)C=O
• InChI: InChI=1S/C14H16O3/c1-4-6-12-8-11(10-15)9-13(16-3)14(12)17-7-5-2/h4-5,8-10H,1-2,6-7H2,3H3
• InChIKey: RPPBOALIYMJLNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 861528-78-1
• MDL Number: MFCD02629579

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.200226
• LogD (pH = 7.4): 3.200226
• Log P: 3.200226
• Molar Refractivity: 69.0184 cm^3
• Polarizability: 25.978975 Å^3
• Polar Surface Area: 35.53 Å^2