7-methyl-5-[(3-oxobutan-2-yl)oxy]-4-propyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-methyl-5-[(3-oxobutan-2-yl)oxy]-4-propyl-2H-1-benzopyran-2-one
7-methyl-5-[(3-oxobutan-2-yl)oxy]-4-propyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0279 |
| Compound Name: | 7-methyl-5-[(3-oxobutan-2-yl)oxy]-4-propyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 288.34 |
| Molecular Formula: | C17 H20 O4 |
| Smiles: | CCCC1=CC(=O)Oc2cc(C)cc(c12)OC(C)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8388 |
| logD: | 3.8388 |
| logSw: | -4.0642 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.348 |
| InChI Key: | GBKJMLHHGHBNKW-LBPRGKRZSA-N |