3-methylbutyl 2-{[3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
3-methylbutyl 2-{[3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
3-methylbutyl 2-{[3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 3793-3031 |
| Compound Name: | 3-methylbutyl 2-{[3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C24 H26 O6 |
| Smiles: | CC(C)CCOC(C(C)Oc1ccc2C(C(=COc2c1)Oc1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0635 |
| logD: | 5.0635 |
| logSw: | -4.5931 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.407 |
| InChI Key: | OKIAHRKMCJOOEW-KRWDZBQOSA-N |