3-butyl-7-hydroxy-4,8-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-butyl-7-hydroxy-4,8-dimethyl-2H-1-benzopyran-2-one
3-butyl-7-hydroxy-4,8-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 4579-0078 |
| Compound Name: | 3-butyl-7-hydroxy-4,8-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 246.3 |
| Molecular Formula: | C15 H18 O3 |
| Smiles: | CCCCC1=C(C)c2ccc(c(C)c2OC1=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.147 |
| logD: | 4.1424 |
| logSw: | -3.9344 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.392 |
| InChI Key: | WBSHKNWGTNMYAF-UHFFFAOYSA-N |