2-[(2-hydroxy-5-methylphenyl)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[(2-hydroxy-5-methylphenyl)methylidene]-1-benzothiophen-3(2H)-one
2-[(2-hydroxy-5-methylphenyl)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 2729-0221 |
| Compound Name: | 2-[(2-hydroxy-5-methylphenyl)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 268.33 |
| Molecular Formula: | C16 H12 O2 S |
| Smiles: | Cc1ccc(c(\C=C2/C(c3ccccc3S2)=O)c1)O |
| Stereo: | ACHIRAL |
| logP: | 4.1248 |
| logD: | 4.0273 |
| logSw: | -3.9041 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.948 |
| InChI Key: | WKVMKPGNVLGUCF-UHFFFAOYSA-N |