Basic information
- Standard SMILES
CCOC(=O)CCCC(=O)c1cc(Cl)ccc1O- InChIKey
JOOVEBOJYJAMGD-UHFFFAOYSA-N- Molecular formula
- C13H15ClO4
- Average molar mass
- 270.71 g/mol
Names & identifiers
- Preferred name
- 5-(5-Chloro-2-hydroxy-phenyl)-5-oxo-pentanoic acid ethyl ester
- IUPAC
- ethyl 5-(5-chloro-2-hydroxyphenyl)-5-oxopentanoate
Names & synonyms
SCHEMBL6076944JOOVEBOJYJAMGD-UHFFFAOYSA-N5-(5-chloro-2-hydroxy-phenyl)-5-oxo-pentanoic acid ethyl ester
Database identifiers
- PubChem CID
- 69655615
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
Related reactions
2 records
Compound notes
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