4-(2,4-Dibenzyloxyphenyl)-2,4-dioxobutanoic acid
Basic information
- Standard SMILES
O=C(O)C(=O)CC(=O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1- InChIKey
BTVVRUXJMPMXAQ-UHFFFAOYSA-N- Molecular formula
- C24H20O6
- Average molar mass
- 404.4 g/mol
Names & identifiers
- Preferred name
- 4-(2,4-Dibenzyloxyphenyl)-2,4-dioxobutanoic acid
- IUPAC
- 4-[2,4-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoic acid
Names & synonyms
SCHEMBL7901173BTVVRUXJMPMXAQ-UHFFFAOYSA-N4-(2,4-dibenzyloxyphenyl)-2,4-dioxobutanoic acid
Database identifiers
- PubChem CID
- 22010304
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 576
Related reactions
2 records
Compound notes
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