3-hexyl-4-methyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-hexyl-4-methyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one
3-hexyl-4-methyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-4552 |
| Compound Name: | 3-hexyl-4-methyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one |
| Molecular Weight: | 316.4 |
| Molecular Formula: | C19 H24 O4 |
| Smiles: | CCCCCCC1=C(C)c2ccc(cc2OC1=O)OCC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4326 |
| logD: | 4.4326 |
| logSw: | -4.4801 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.994 |
| InChI Key: | JMTXHWCMBVTKGG-UHFFFAOYSA-N |