3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Chemical Structure Depiction of
3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Compound characteristics
| Compound ID: | 8011-8262 |
| Compound Name: | 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione |
| Molecular Weight: | 397.22 |
| Molecular Formula: | C17 H17 Br O6 |
| Smiles: | COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(c1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.0375 |
| logD: | 2.9597 |
| logSw: | -3.0867 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.439 |
| InChI Key: | YCULYGKLZGXTTF-UHFFFAOYSA-N |