Basic information
- Standard SMILES
CCCCC(=O)C(c1ccc(OC2CCCCC2)cc1)C(O)C(=O)OCC- InChIKey
KUNRCMCTKAICDS-UHFFFAOYSA-N- Molecular formula
- C22H32O5
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.22497412
Names & identifiers
- Preferred name
- 3-(4-Cyclohexyloxy-phenyl)-2-hydroxy-4-oxo-octanoic acid ethyl ester
- IUPAC
- ethyl 3-(4-cyclohexyloxyphenyl)-2-hydroxy-4-oxooctanoate
Names & synonyms
SCHEMBL2354914KUNRCMCTKAICDS-UHFFFAOYSA-N3-(4-cyclohexyloxy-phenyl)-2-hydroxy-4-oxo-octanoic acid ethyl ester
Database identifiers
- PubChem CID
- 67375747
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 450
Related reactions
7 records
Compound notes
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