Basic information
- Standard SMILES
COC(=O)c1ccc(SCC(O)c2ccccc2)cc1Cl- InChIKey
YCXIDCPJYRITNK-UHFFFAOYSA-N- Molecular formula
- C16H15ClO3S
- Average molar mass
- 322.8 g/mol
- Monoisotopic mass
- 322.0430432
Names & identifiers
- Preferred name
- Methyl 2-chloro-4-(2-hydroxy-2-phenylethyl)sulfanylbenzoate
- IUPAC
- methyl 2-chloro-4-(2-hydroxy-2-phenylethyl)sulfanylbenzoate
Names & synonyms
SCHEMBL1020621
Database identifiers
- PubChem CID
- 66878701
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 333
Related reactions
1 records
Compound notes
Loading…