8-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-4-(trifluoromethyl)-2H-1-benzopyran-2-one
8-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0058 |
| Compound Name: | 8-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-4-(trifluoromethyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 312.29 |
| Molecular Formula: | C16 H15 F3 O3 |
| Smiles: | CC(C)=CCOc1ccc2C(=CC(=O)Oc2c1C)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.6937 |
| logD: | 4.6937 |
| logSw: | -4.5748 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.8343 |
| InChI Key: | CTPDWWLPPFLHCK-UHFFFAOYSA-N |