4-butyl-8-methyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-8-methyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
4-butyl-8-methyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0251 |
| Compound Name: | 4-butyl-8-methyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 302.37 |
| Molecular Formula: | C18 H22 O4 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OC(C)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1694 |
| logD: | 4.1694 |
| logSw: | -4.3284 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.032 |
| InChI Key: | SDLPWPGZLRZVJR-ZDUSSCGKSA-N |