Basic information
- Standard SMILES
CCOC(=O)CCC(O)c1cccc(OCc2c(C)cccc2C)c1- InChIKey
IQFDEWOTTQLVNP-UHFFFAOYSA-N- Molecular formula
- C21H26O4
- Average molar mass
- 342.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(3-(2,6-dimethylbenzyloxy)phenyl)-4-hydroxy-butyrate
- IUPAC
- ethyl 4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-4-hydroxybutanoate
Names & synonyms
SCHEMBL2088936IQFDEWOTTQLVNP-UHFFFAOYSA-NEthyl 4-(3-(2,6-dimethylbenzyloxy)phenyl)-4-hydroxy-butyrate
Database identifiers
- PubChem CID
- 21964458
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 387
Related reactions
33 records
Compound notes
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