7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-8-hexyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-8-hexyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-8-hexyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-7415 |
| Compound Name: | 7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-8-hexyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 454.95 |
| Molecular Formula: | C26 H27 Cl O5 |
| Smiles: | CCCCCCc1cc2C3CCCC=3C(=O)Oc2cc1OCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 7.5251 |
| logD: | 7.5251 |
| logSw: | -6.5766 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.876 |
| InChI Key: | CAICKKPQWYJVTJ-UHFFFAOYSA-N |