4-butyl-8-methyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-8-methyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one
4-butyl-8-methyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0250 |
| Compound Name: | 4-butyl-8-methyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one |
| Molecular Weight: | 288.34 |
| Molecular Formula: | C17 H20 O4 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OCC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2827 |
| logD: | 3.2827 |
| logSw: | -3.6382 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.251 |
| InChI Key: | PVVOOUGJRKYISR-UHFFFAOYSA-N |