6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-methoxybenzoate
Chemical Structure Depiction of
6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-methoxybenzoate
6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-methoxybenzoate
Compound characteristics
| Compound ID: | Y040-2048 |
| Compound Name: | 6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-methoxybenzoate |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C21 H18 O5 |
| Smiles: | Cc1c(ccc2C3CCCC=3C(=O)Oc12)OC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9904 |
| logD: | 3.9904 |
| logSw: | -4.2919 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.139 |
| InChI Key: | QMPGKIIAJBZQJB-UHFFFAOYSA-N |