methyl 4-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}benzoate
methyl 4-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | 3330-4362 |
| Compound Name: | methyl 4-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}benzoate |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C21 H18 O5 |
| Smiles: | COC(c1ccc(COc2ccc3C4CCCC=4C(=O)Oc3c2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9468 |
| logD: | 3.9468 |
| logSw: | -4.147 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.848 |
| InChI Key: | DJNFTCQTTKQPPR-UHFFFAOYSA-N |