propan-2-yl 2-{[3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
propan-2-yl 2-{[3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
propan-2-yl 2-{[3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 5596-0228 |
| Compound Name: | propan-2-yl 2-{[3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 464.44 |
| Molecular Formula: | C24 H23 F3 O6 |
| Smiles: | CC(C)OC(C(C)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)Oc1cc(C)cc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6908 |
| logD: | 5.6908 |
| logSw: | -5.5083 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.837 |
| InChI Key: | IRNCLPQBWDSFDV-HNNXBMFYSA-N |