3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 2-methylpropanoate
Chemical Structure Depiction of
3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 2-methylpropanoate
3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 2-methylpropanoate
Compound characteristics
| Compound ID: | 4358-3461 |
| Compound Name: | 3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 2-methylpropanoate |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C21 H20 O5 |
| Smiles: | CC(C)C(=O)Oc1ccc2C(C(=COc2c1)Oc1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7841 |
| logD: | 4.7841 |
| logSw: | -4.6628 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.306 |
| InChI Key: | SCSHURJXFNYPEV-UHFFFAOYSA-N |