ethyl 2-{[4-methyl-3-(3-methylbutyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
ethyl 2-{[4-methyl-3-(3-methylbutyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoate
ethyl 2-{[4-methyl-3-(3-methylbutyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 6486-0013 |
| Compound Name: | ethyl 2-{[4-methyl-3-(3-methylbutyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 346.42 |
| Molecular Formula: | C20 H26 O5 |
| Smiles: | CCOC(C(C)Oc1ccc2C(C)=C(CCC(C)C)C(=O)Oc2c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4051 |
| logD: | 4.4051 |
| logSw: | -4.3506 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.703 |
| InChI Key: | OIJYVDPIXJLOFZ-AWEZNQCLSA-N |