methyl 4-{[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}benzoate
methyl 4-{[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | 5596-0287 |
| Compound Name: | methyl 4-{[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}benzoate |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C22 H20 O5 |
| Smiles: | Cc1c(ccc2C3CCCC=3C(=O)Oc12)OCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4791 |
| logD: | 4.4791 |
| logSw: | -4.6694 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.619 |
| InChI Key: | LVEGUKGJXACEET-UHFFFAOYSA-N |