methyl 2-{[4-oxo-3-(2,3,5-trimethylphenoxy)-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
methyl 2-{[4-oxo-3-(2,3,5-trimethylphenoxy)-4H-1-benzopyran-7-yl]oxy}propanoate
methyl 2-{[4-oxo-3-(2,3,5-trimethylphenoxy)-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 5976-2372 |
| Compound Name: | methyl 2-{[4-oxo-3-(2,3,5-trimethylphenoxy)-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 382.41 |
| Molecular Formula: | C22 H22 O6 |
| Smiles: | CC(C(=O)OC)Oc1ccc2C(C(=COc2c1)Oc1cc(C)cc(C)c1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5493 |
| logD: | 4.5493 |
| logSw: | -4.4239 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.619 |
| InChI Key: | MYYUVVWKDARVSG-HNNXBMFYSA-N |