8-chloro-7-[(3-methylphenyl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-chloro-7-[(3-methylphenyl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-chloro-7-[(3-methylphenyl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-1258 |
| Compound Name: | 8-chloro-7-[(3-methylphenyl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 340.8 |
| Molecular Formula: | C20 H17 Cl O3 |
| Smiles: | Cc1cccc(COc2cc3c(cc2[Cl])C2CCCC=2C(=O)O3)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5759 |
| logD: | 5.5759 |
| logSw: | -5.9112 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.7609 |
| InChI Key: | BHGJKTGXOUPZAX-UHFFFAOYSA-N |