4-butyl-7-methyl-5-(2-oxopropoxy)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-methyl-5-(2-oxopropoxy)-2H-1-benzopyran-2-one
4-butyl-7-methyl-5-(2-oxopropoxy)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0274 |
| Compound Name: | 4-butyl-7-methyl-5-(2-oxopropoxy)-2H-1-benzopyran-2-one |
| Molecular Weight: | 288.34 |
| Molecular Formula: | C17 H20 O4 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(C)cc(c12)OCC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4211 |
| logD: | 3.4211 |
| logSw: | -3.7073 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.567 |
| InChI Key: | LOPUBZALQLIXEI-UHFFFAOYSA-N |