7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-3,4-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-3,4-dimethyl-2H-1-benzopyran-2-one
7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-3,4-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1778 |
| Compound Name: | 7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-3,4-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 358.78 |
| Molecular Formula: | C19 H15 Cl O5 |
| Smiles: | CC1=C(C)c2ccc(cc2OC1=O)OCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.4737 |
| logD: | 4.4737 |
| logSw: | -4.6267 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.503 |
| InChI Key: | YTJGOQDFYNMSEJ-UHFFFAOYSA-N |