methyl 4-{[(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}benzoate
methyl 4-{[(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | Y040-1252 |
| Compound Name: | methyl 4-{[(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}benzoate |
| Molecular Weight: | 384.81 |
| Molecular Formula: | C21 H17 Cl O5 |
| Smiles: | COC(c1ccc(COc2cc3c(cc2[Cl])C2CCCC=2C(=O)O3)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9702 |
| logD: | 4.9702 |
| logSw: | -5.1243 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.935 |
| InChI Key: | ZTGZODDXOKJQLD-UHFFFAOYSA-N |