Basic information
- Standard SMILES
CCOC(=O)c1cccc(-c2ccccc2CSCCO)c1- InChIKey
CUBLLXQNEQKKJW-UHFFFAOYSA-N- Molecular formula
- C18H20O3S
- Average molar mass
- 316.4 g/mol
Names & identifiers
- Preferred name
- 2'-(2-Hydroxy-ethylsulfanylmethyl)-biphenyl-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-[2-(2-hydroxyethylsulfanylmethyl)phenyl]benzoate
Names & synonyms
SCHEMBL5863108CUBLLXQNEQKKJW-UHFFFAOYSA-N2'-(2-Hydroxy-ethylsulfanylmethyl)-biphenyl-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 58610583
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 334
Related reactions
2 records
Compound notes
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