Basic information
- CAS
40321-74-2- Standard SMILES
COc1ccc(C(C=O)C(=O)c2ccc(OCc3ccccc3)cc2OCc2ccccc2)cc1OC- InChIKey
WLTROQSHKFUACR-UHFFFAOYSA-N- Molecular formula
- C31H28O6
- Average molar mass
- 496.5 g/mol
- Monoisotopic mass
- 496.18858861
Names & identifiers
- Preferred name
- Benzenepropanal, beta-(3,4-dimethoxyphenyl)-gamma-oxo-2,4-bis(phenylmethoxy)-
- IUPAC
- 3-[2,4-bis(phenylmethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-3-oxopropanal
- English name
- 2,4-Bis(phenylmethoxy)-α-(3,4-dimethoxyphenyl)-β-oxobenzenepropanal
- Molecular formula
- C31H28O6
- Molecular weight
- 496.55042
Names & synonyms
40321-74-2Benzenepropanal, beta-(3,4-dimethoxyphenyl)-gamma-oxo-2,4-bis(phenylmethoxy)-Hydrocinnamaldehyde, 2,4-bis(phenylmethoxy)-beta-(3,4-dimethoxyphenyl)-gamma-oxo-2,4-Bis(phenylmethoxy)-beta-(3,4-dimethoxyphenyl)-gamma-oxohydrocinnamaldehydeDTXSID009607563-[2,4-Bis(benzyloxy)phenyl]-2-(3,4-dimethoxyphenyl)-3-oxopropanal2,4-Bis(phenylmethoxy)-α-(3,4-dimethoxyphenyl)-β-oxobenzenepropanalBenzenepropanal, α-(3,4-dimethoxyphenyl)-β-oxo-2,4-bis(phenylmethoxy)-
Database identifiers
- CAS
40321-74-2- PubChem CID
- 64873
- DTXSID
DTXSID00960756- Nikkaji
- J334.043K
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 685
Physicochemical properties
- Boiling point
- 677.6 · 677.6±55.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 4.83 · 4.83±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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