3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl propanoate
Chemical Structure Depiction of
3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl propanoate
3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl propanoate
Compound characteristics
| Compound ID: | 4300-0452 |
| Compound Name: | 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl propanoate |
| Molecular Weight: | 406.36 |
| Molecular Formula: | C21 H17 F3 O5 |
| Smiles: | CCC(=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)Oc1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1283 |
| logD: | 5.1283 |
| logSw: | -5.0062 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.669 |
| InChI Key: | LZKFLHCIVSZPIH-UHFFFAOYSA-N |