3-benzyl-4,7-dimethyl-5-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-4,7-dimethyl-5-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
3-benzyl-4,7-dimethyl-5-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 4182-0328 |
| Compound Name: | 3-benzyl-4,7-dimethyl-5-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 350.41 |
| Molecular Formula: | C22 H22 O4 |
| Smiles: | CC(C(C)=O)Oc1cc(C)cc2c1C(C)=C(Cc1ccccc1)C(=O)O2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9225 |
| logD: | 4.9225 |
| logSw: | -4.8808 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.591 |
| InChI Key: | WCXLSLKYLLQSEA-INIZCTEOSA-N |