8-chloro-7-[2-(4-methylphenyl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-chloro-7-[2-(4-methylphenyl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-chloro-7-[2-(4-methylphenyl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-1281 |
| Compound Name: | 8-chloro-7-[2-(4-methylphenyl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 368.82 |
| Molecular Formula: | C21 H17 Cl O4 |
| Smiles: | Cc1ccc(cc1)C(COc1cc2c(cc1[Cl])C1CCCC=1C(=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7163 |
| logD: | 4.7163 |
| logSw: | -4.8323 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.008 |
| InChI Key: | RNMDRVMGHDTXCO-UHFFFAOYSA-N |