8-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | 4182-0683 |
| Compound Name: | 8-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 401.8 |
| Molecular Formula: | C20 H16 Cl N O6 |
| Smiles: | COc1ccc(cc1COc1cc2c(cc1[Cl])C1CCCC=1C(=O)O2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5953 |
| logD: | 4.5953 |
| logSw: | -4.9031 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.773 |
| InChI Key: | MPJROVCAFZOCPS-UHFFFAOYSA-N |