Basic information
- Standard SMILES
CCOC(=O)CCc1cc(C(=O)c2cccc(C(=O)OCC)c2)ccc1O- InChIKey
YAKHUXMALDALPU-UHFFFAOYSA-N- Molecular formula
- C21H22O6
- Average molar mass
- 370.4 g/mol
Names & identifiers
- Preferred name
- 5-[3-(Ethoxycarbonyl)benzoyl]-2-hydroxybenzenepropanoic acid ethyl ester
- IUPAC
- ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoyl]benzoate
Names & synonyms
SCHEMBL8949618YAKHUXMALDALPU-UHFFFAOYSA-N5-[3(ethoxycarbonyl)benzoyl]-2-hydroxybenzenepropanoic acid ethyl ester5-[3-(ethoxycarbonyl)benzoyl]-2-hydroxybenzenepropanoic acid ethyl ester5-[[3-(ethoxycarbonyl)phenyl]carbonyl]-2-hydroxybenzenepropanoic acid ethyl ester
Database identifiers
- PubChem CID
- 14739657
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 517
Related reactions
19 records
Compound notes
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