8-chloro-7-(3,3-dimethyl-2-oxobutoxy)-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-chloro-7-(3,3-dimethyl-2-oxobutoxy)-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-chloro-7-(3,3-dimethyl-2-oxobutoxy)-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-1273 |
| Compound Name: | 8-chloro-7-(3,3-dimethyl-2-oxobutoxy)-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 334.8 |
| Molecular Formula: | C18 H19 Cl O4 |
| Smiles: | CC(C)(C)C(COc1cc2c(cc1[Cl])C1CCCC=1C(=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.385 |
| logD: | 4.385 |
| logSw: | -4.5537 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.279 |
| InChI Key: | AEABQRHAKXZKOK-UHFFFAOYSA-N |