butan-2-yl 2-{[3-(4-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
butan-2-yl 2-{[3-(4-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
butan-2-yl 2-{[3-(4-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 5976-1694 |
| Compound Name: | butan-2-yl 2-{[3-(4-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C23 H24 O6 |
| Smiles: | CCC(C)OC(C(C)Oc1ccc2C(C(=COc2c1)Oc1ccc(C)cc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8391 |
| logD: | 4.8391 |
| logSw: | -4.6338 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.675 |
| InChI Key: | JIVVOZFDBVEEGL-UHFFFAOYSA-N |