8-methyl-7-(3-methylbutoxy)-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-methyl-7-(3-methylbutoxy)-4-(trifluoromethyl)-2H-1-benzopyran-2-one
8-methyl-7-(3-methylbutoxy)-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D060-0057 |
| Compound Name: | 8-methyl-7-(3-methylbutoxy)-4-(trifluoromethyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 314.3 |
| Molecular Formula: | C16 H17 F3 O3 |
| Smiles: | CC(C)CCOc1ccc2C(=CC(=O)Oc2c1C)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.6358 |
| logD: | 4.6358 |
| logSw: | -4.4056 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.8343 |
| InChI Key: | ISPIEHLMQRAZCR-UHFFFAOYSA-N |