3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 3,3-dimethylbutanoate
Chemical Structure Depiction of
3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 3,3-dimethylbutanoate
3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 3,3-dimethylbutanoate
Compound characteristics
Compound ID: | 6197-0140 |
Compound Name: | 3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 3,3-dimethylbutanoate |
Molecular Weight: | 482.88 |
Molecular Formula: | C24 H22 Cl F3 O5 |
Smiles: | Cc1cc(cc(C)c1[Cl])OC1=C(C(F)(F)F)Oc2cc(ccc2C1=O)OC(CC(C)(C)C)=O |
Stereo: | ACHIRAL |
logP: | 7.1559 |
logD: | 7.1559 |
logSw: | -6.5467 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 47.669 |
InChI Key: | ZADCECYUVKZEBI-UHFFFAOYSA-N |