4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate
Chemical Structure Depiction of
4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate
4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate
Compound characteristics
| Compound ID: | Y040-7596 |
| Compound Name: | 4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate |
| Molecular Weight: | 362.85 |
| Molecular Formula: | C20 H23 Cl O4 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6012 |
| logD: | 5.6012 |
| logSw: | -6.0035 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.302 |
| InChI Key: | YEPOICMEJKOATF-UHFFFAOYSA-N |