3-(4-chlorophenyl)-7-(pentyloxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-(pentyloxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(4-chlorophenyl)-7-(pentyloxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3992-2910 |
| Compound Name: | 3-(4-chlorophenyl)-7-(pentyloxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 410.82 |
| Molecular Formula: | C21 H18 Cl F3 O3 |
| Smiles: | CCCCCOc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.8035 |
| logD: | 6.8035 |
| logSw: | -6.2952 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.6954 |
| InChI Key: | JXKXUKRQSOHKCD-UHFFFAOYSA-N |