3-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Chemical Structure Depiction of
3-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
3-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Compound characteristics
| Compound ID: | Y040-0729 |
| Compound Name: | 3-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one |
| Molecular Weight: | 398.84 |
| Molecular Formula: | C22 H19 Cl O5 |
| Smiles: | Cc1c(ccc2C3CCCCC=3C(=O)Oc12)OCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.6674 |
| logD: | 5.6674 |
| logSw: | -5.8734 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.195 |
| InChI Key: | FLCYHGNABVODHT-UHFFFAOYSA-N |