Basic information
- Standard SMILES
CCOC(=O)C(CCc1ccc(OCc2ccccc2)cc1)S(C)(=O)=O- InChIKey
YJLRELOFWMXAEG-UHFFFAOYSA-N- Molecular formula
- C20H24O5S
- Average molar mass
- 376.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[4-(benzyloxy)phenyl]-2-(methylsulfonyl)butanoate
- IUPAC
- ethyl 2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanoate
Names & synonyms
SCHEMBL5921YJLRELOFWMXAEG-UHFFFAOYSA-NEthyl 4-[4-(benzyloxy)phenyl]-2-(methylsulfonyl)butanoate
Database identifiers
- PubChem CID
- 66577987
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 511
Related reactions
2 records
Compound notes
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