3-(5-formyl-2,3-dimethoxyphenyl)-4,5-dimethoxybenzaldehyde

• ChemBase ID: 186193
• Molecular Formular: C18H18O6
• Molecular Mass: 330.33192
• Monoisotopic Mass: 330.1103383
• SMILES: c1(c2c(c(cc(c2)C=O)OC)OC)c(c(cc(c1)C=O)OC)OC
• Canonical SMILES: COc1c(OC)cc(cc1c1cc(C=O)cc(c1OC)OC)C=O
• InChI: InChI=1S/C18H18O6/c1-21-15-7-11(9-19)5-13(17(15)23-3)14-6-12(10-20)8-16(22-2)18(14)24-4/h5-10H,1-4H3
• InChIKey: VCSKREAXBWDNTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-formyl-2,3-dimethoxyphenyl)-4,5-dimethoxybenzaldehyde
• IUPAC Traditional name: 3-(5-formyl-2,3-dimethoxyphenyl)-4,5-dimethoxybenzaldehyde

Database IDs

• PubChem SID: 164242103
• PubChem CID: 929293

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.4147909
• LogD (pH = 7.4): 2.4147909
• Log P: 2.4147909
• Molar Refractivity: 90.215 cm^3
• Polarizability: 35.143265 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds