benzyl 2-{[3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
benzyl 2-{[3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
benzyl 2-{[3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 4358-3811 |
| Compound Name: | benzyl 2-{[3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 444.48 |
| Molecular Formula: | C27 H24 O6 |
| Smiles: | CC(C(=O)OCc1ccccc1)Oc1ccc2C(C(=COc2c1)Oc1cc(C)ccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5513 |
| logD: | 5.5513 |
| logSw: | -5.5443 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.303 |
| InChI Key: | ABRYGXOYANLJLB-IBGZPJMESA-N |