8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 3,4,5-trimethoxybenzoate
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | Y040-1266 |
| Compound Name: | 8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 430.84 |
| Molecular Formula: | C22 H19 Cl O7 |
| Smiles: | COc1cc(cc(c1OC)OC)C(=O)Oc1cc2c(cc1[Cl])C1CCCC=1C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.7031 |
| logD: | 3.7031 |
| logSw: | -4.1594 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.889 |
| InChI Key: | BMPPXDGEBBYHRI-UHFFFAOYSA-N |