4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl (4-chloro-3,5-dimethylphenoxy)acetate
Chemical Structure Depiction of
4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl (4-chloro-3,5-dimethylphenoxy)acetate
4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl (4-chloro-3,5-dimethylphenoxy)acetate
Compound characteristics
| Compound ID: | 2712-4085 |
| Compound Name: | 4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl (4-chloro-3,5-dimethylphenoxy)acetate |
| Molecular Weight: | 398.84 |
| Molecular Formula: | C22 H19 Cl O5 |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCC(=O)Oc1ccc2C3CCCC=3C(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7915 |
| logD: | 4.7915 |
| logSw: | -4.9846 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.729 |
| InChI Key: | BQIHWTHINHOGBJ-UHFFFAOYSA-N |