ethyl 2-[(8-acetyl-3-butyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]butanoate
Chemical Structure Depiction of
ethyl 2-[(8-acetyl-3-butyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]butanoate
ethyl 2-[(8-acetyl-3-butyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]butanoate
Compound characteristics
| Compound ID: | D060-0107 |
| Compound Name: | ethyl 2-[(8-acetyl-3-butyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]butanoate |
| Molecular Weight: | 388.46 |
| Molecular Formula: | C22 H28 O6 |
| Smiles: | CCCCC1=C(C)c2ccc(c(C(C)=O)c2OC1=O)OC(CC)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2417 |
| logD: | 5.2417 |
| logSw: | -5.2633 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.184 |
| InChI Key: | IHQVPXZEDGZKEI-KRWDZBQOSA-N |