Basic information
- Standard SMILES
CCOC(=O)CCc1cc(C(=O)c2cccc(C(=O)OCC)c2)ccc1OC- InChIKey
KTVPOWCQDRZZKC-UHFFFAOYSA-N- Molecular formula
- C22H24O6
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.15728848
Names & identifiers
- Preferred name
- 5-[3-(Ethoxycarbonyl)benzoyl]-2-methoxybenzenepropanoic acid, ethyl ester
- IUPAC
- ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4-methoxybenzoyl]benzoate
Names & synonyms
KTVPOWCQDRZZKC-UHFFFAOYSA-N5-[3-(Ethoxycarbonyl)benzoyl]-2-methoxybenzenepropanoic acid, ethyl ester
Database identifiers
- PubChem CID
- 14739655
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 531
Related reactions
6 records
Compound notes
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