6-chloro-7-[(2-oxocyclohexyl)oxy]-4-phenyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-[(2-oxocyclohexyl)oxy]-4-phenyl-2H-1-benzopyran-2-one
6-chloro-7-[(2-oxocyclohexyl)oxy]-4-phenyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0984 |
| Compound Name: | 6-chloro-7-[(2-oxocyclohexyl)oxy]-4-phenyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 368.82 |
| Molecular Formula: | C21 H17 Cl O4 |
| Smiles: | C1CCC(C(C1)Oc1cc2c(cc1[Cl])C(=CC(=O)O2)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.443 |
| logD: | 4.443 |
| logSw: | -4.7337 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.105 |
| InChI Key: | JCSQRBHGMYPRAF-SFHVURJKSA-N |