6-chloro-7-[(3-oxobutan-2-yl)oxy]-4-propyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-[(3-oxobutan-2-yl)oxy]-4-propyl-2H-1-benzopyran-2-one
6-chloro-7-[(3-oxobutan-2-yl)oxy]-4-propyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0106 |
| Compound Name: | 6-chloro-7-[(3-oxobutan-2-yl)oxy]-4-propyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 308.76 |
| Molecular Formula: | C16 H17 Cl O4 |
| Smiles: | CCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(C)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1272 |
| logD: | 4.1272 |
| logSw: | -4.4935 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.348 |
| InChI Key: | JGQUCUXRVIQYLC-JTQLQIEISA-N |