4-butyl-7-methyl-5-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-methyl-5-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
4-butyl-7-methyl-5-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0280 |
| Compound Name: | 4-butyl-7-methyl-5-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 302.37 |
| Molecular Formula: | C18 H22 O4 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(C)cc(c12)OC(C)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3189 |
| logD: | 4.3189 |
| logSw: | -4.459 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.348 |
| InChI Key: | PVOTZBANMHRDQJ-ZDUSSCGKSA-N |