Basic information
- Standard SMILES
CCOC(=O)C(CCc1ccccc1)S(C)(=O)=O- InChIKey
LRPAOQKNQMEXQH-UHFFFAOYSA-N- Molecular formula
- C13H18O4S
- Average molar mass
- 270.35 g/mol
Names & identifiers
- Preferred name
- 2-Methylsulphonyl-4-phenylbutyric acid ethyl ester
- IUPAC
- ethyl 2-methylsulfonyl-4-phenylbutanoate
Names & synonyms
SCHEMBL7335349LRPAOQKNQMEXQH-UHFFFAOYSA-N2-methylsulphonyl-4-phenylbutyric acid ethyl ester
Database identifiers
- PubChem CID
- 54049045
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Related reactions
2 records
Compound notes
Loading…