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Basic information
- Standard SMILES
COc1cc(C=CC(=O)Sc2ccccc2)cc(OC)c1O- InChIKey
KNQMIFZBEXMHDV-UHFFFAOYSA-N- Molecular formula
- C17H16O4S
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.07693016
Names & identifiers
- Preferred name
- S-phenyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enethioate
- IUPAC
- S-phenyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enethioate
Database identifiers
- PubChem CID
- 358933
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
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Compound notes
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