Basic information
- Standard SMILES
CCOC(=O)c1ccccc1-c1cccc(CSCCO)c1- InChIKey
DAMBCTUCVWMACB-UHFFFAOYSA-N- Molecular formula
- C18H20O3S
- Average molar mass
- 316.4 g/mol
Names & identifiers
- Preferred name
- 3'-(2-Hydroxy-ethylsulfanylmethyl)-biphenyl-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-[3-(2-hydroxyethylsulfanylmethyl)phenyl]benzoate
Names & synonyms
SCHEMBL5863364DAMBCTUCVWMACB-UHFFFAOYSA-N3'-(2-Hydroxy-ethylsulfanylmethyl)-biphenyl-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 58610591
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
3 records
Compound notes
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