benzyl 2-{[3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
benzyl 2-{[3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
benzyl 2-{[3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 5596-0205 |
| Compound Name: | benzyl 2-{[3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 430.46 |
| Molecular Formula: | C26 H22 O6 |
| Smiles: | CC(C(=O)OCc1ccccc1)Oc1ccc2C(C(=COc2c1)Oc1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9618 |
| logD: | 4.9618 |
| logSw: | -4.9387 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.217 |
| InChI Key: | IHVVQLFDHFQSAG-SFHVURJKSA-N |