2-[(2-hydroxy-5-methoxyphenyl)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[(2-hydroxy-5-methoxyphenyl)methylidene]-1-benzothiophen-3(2H)-one
2-[(2-hydroxy-5-methoxyphenyl)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 2729-0111 |
| Compound Name: | 2-[(2-hydroxy-5-methoxyphenyl)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 284.33 |
| Molecular Formula: | C16 H12 O3 S |
| Smiles: | COc1ccc(c(\C=C2/C(c3ccccc3S2)=O)c1)O |
| Stereo: | ACHIRAL |
| logP: | 3.774 |
| logD: | 3.7308 |
| logSw: | -3.5695 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.492 |
| InChI Key: | VBIQGRZYRBFPFV-UHFFFAOYSA-N |