3-(3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 2-methylpropanoate
Chemical Structure Depiction of
3-(3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 2-methylpropanoate
3-(3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 2-methylpropanoate
Compound characteristics
| Compound ID: | 3643-2383 |
| Compound Name: | 3-(3,5-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)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5721 |
| logD: | 4.5721 |
| logSw: | -4.5632 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.219 |
| InChI Key: | QYXBKHSZCLMTAG-UHFFFAOYSA-N |