7-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-6-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
7-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-6-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
7-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-6-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-2061 |
| Compound Name: | 7-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-6-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 378.38 |
| Molecular Formula: | C22 H18 O6 |
| Smiles: | Cc1c(ccc2C3CCCC=3C(=O)Oc12)OCC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9594 |
| logD: | 3.9594 |
| logSw: | -4.1692 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.808 |
| InChI Key: | OADBYPUUKNCFTB-UHFFFAOYSA-N |