4-butyl-7-methyl-5-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-methyl-5-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-2-one
4-butyl-7-methyl-5-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1727 |
| Compound Name: | 4-butyl-7-methyl-5-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-2-one |
| Molecular Weight: | 350.41 |
| Molecular Formula: | C22 H22 O4 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(C)cc(c12)OCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8979 |
| logD: | 4.8979 |
| logSw: | -4.8767 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.207 |
| InChI Key: | PXPJFIUBQNJVMC-UHFFFAOYSA-N |