4-butyl-6-chloro-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-7-hydroxy-2H-1-benzopyran-2-one
4-butyl-6-chloro-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D715-2430 |
| Compound Name: | 4-butyl-6-chloro-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 252.69 |
| Molecular Formula: | C13 H13 Cl O3 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 3.9169 |
| logD: | 3.5896 |
| logSw: | -3.8001 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.194 |
| InChI Key: | JJMCRAFDMADYIY-UHFFFAOYSA-N |