2-methylpropyl 2-{[3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
2-methylpropyl 2-{[3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
2-methylpropyl 2-{[3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 3793-3030 |
| Compound Name: | 2-methylpropyl 2-{[3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C23 H24 O6 |
| Smiles: | CC(C)COC(C(C)Oc1ccc2C(C(=COc2c1)Oc1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7441 |
| logD: | 4.7441 |
| logSw: | -4.6762 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.488 |
| InChI Key: | JBYHIWCOTILTEG-INIZCTEOSA-N |