3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate
Chemical Structure Depiction of
3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate
3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate
Compound characteristics
| Compound ID: | 4358-3486 |
| Compound Name: | 3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate |
| Molecular Weight: | 366.41 |
| Molecular Formula: | C22 H22 O5 |
| Smiles: | Cc1ccc(C)c(c1)OC1=COc2cc(ccc2C1=O)OC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.214 |
| logD: | 5.214 |
| logSw: | -5.1677 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.306 |
| InChI Key: | IJDPEWYPICWOLF-UHFFFAOYSA-N |