3-(3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl propanoate
Chemical Structure Depiction of
3-(3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl propanoate
3-(3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl propanoate
Compound characteristics
| Compound ID: | 3643-2381 |
| Compound Name: | 3-(3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl propanoate |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C20 H18 O5 |
| Smiles: | CCC(=O)Oc1ccc2C(C(=COc2c1)Oc1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0669 |
| logD: | 4.0669 |
| logSw: | -4.2338 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.624 |
| InChI Key: | VDLYFSJQKKMQCN-UHFFFAOYSA-N |