3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-4-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Chemical Structure Depiction of
3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-4-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-4-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Compound characteristics
| Compound ID: | Y040-0725 |
| Compound Name: | 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-4-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C23 H20 O6 |
| Smiles: | Cc1c(ccc2C3CCCCC=3C(=O)Oc12)OCC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7567 |
| logD: | 4.7567 |
| logSw: | -4.6331 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.442 |
| InChI Key: | ASQRXVPEUKAKMZ-UHFFFAOYSA-N |