8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-methylbenzoate
Chemical Structure Depiction of
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-methylbenzoate
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | Y041-1823 |
| Compound Name: | 8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-methylbenzoate |
| Molecular Weight: | 354.79 |
| Molecular Formula: | C20 H15 Cl O4 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1cc2c(cc1[Cl])C1CCCC=1C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.6951 |
| logD: | 4.6951 |
| logSw: | -4.8568 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.911 |
| InChI Key: | QODBRGFTVDRANE-UHFFFAOYSA-N |