Basic information
- CAS
40321-70-8- Standard SMILES
COc1ccc(C(C=O)C(=O)c2ccc(OCc3ccccc3)cc2OCc2ccccc2)cc1- InChIKey
WFOAOEUHAUTEER-UHFFFAOYSA-N- Molecular formula
- C30H26O5
- Average molar mass
- 466.5 g/mol
- Monoisotopic mass
- 466.17802393
Names & identifiers
- Preferred name
- Benzenepropanal, beta-(4-methoxyphenyl)-gamma-oxo-2,4-bis(phenylmethoxy)-
- IUPAC
- 3-[2,4-bis(phenylmethoxy)phenyl]-2-(4-methoxyphenyl)-3-oxopropanal
- English name
- 2,4-Bis(phenylmethoxy)-α-(p-methoxyphenyl)-β-oxobenzenepropanal
- Molecular formula
- C30H26O5
- Molecular weight
- 466.52444
Names & synonyms
40321-70-8Hydrocinnamaldehyde, 2,4-bis(phenylmethoxy)-beta-(p-methoxyphenyl)-gamma-oxo-Benzenepropanal, beta-(4-methoxyphenyl)-gamma-oxo-2,4-bis(phenylmethoxy)-XA4QSF2MA62,4-Bis(phenylmethoxy)-beta-(p-methoxyphenyl)-gamma-oxohydrocinnamaldehydeDTXSID809607543-[2,4-Bis(benzyloxy)phenyl]-2-(4-methoxyphenyl)-3-oxopropanal3-[2,4-bis(phenylmethoxy)phenyl]-2-(4-methoxyphenyl)-3-oxopropanal4-Methoxy-2',4'-dibenzyloxy-alpha-formyldeoxybenzoinalpha-(4-Methoxyphenyl)-beta-oxo-2,4-bis(phenylmethoxy)benzenepropanalBenzenepropanal, alpha-(4-methoxyphenyl)-beta-oxo-2,4-bis(phenylmethoxy)-2,4-Bis(phenylmethoxy)-α-(p-methoxyphenyl)-β-oxobenzenepropanal
Show more names
Benzenepropanal, α-(4-methoxyphenyl)-β-oxo-2,4-bis(phenylmethoxy)-
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 631
Physicochemical properties
- Boiling point
- 660.2 · 660.2±55.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 5.44 · 5.44±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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