3-(3,4-dimethoxyphenyl)-7-(2-oxopropoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-7-(2-oxopropoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(3,4-dimethoxyphenyl)-7-(2-oxopropoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5976-1703 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-7-(2-oxopropoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 422.36 |
| Molecular Formula: | C21 H17 F3 O6 |
| Smiles: | CC(COc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0758 |
| logD: | 3.0758 |
| logSw: | -3.2742 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.373 |
| InChI Key: | ZWXQALGQYDDINE-UHFFFAOYSA-N |