4-methyl-3-(2-methylpropyl)-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-methyl-3-(2-methylpropyl)-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-2-one
4-methyl-3-(2-methylpropyl)-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 4808-0477 |
| Compound Name: | 4-methyl-3-(2-methylpropyl)-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-2-one |
| Molecular Weight: | 350.41 |
| Molecular Formula: | C22 H22 O4 |
| Smiles: | CC(C)CC1=C(C)c2ccc(cc2OC1=O)OCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5568 |
| logD: | 4.5568 |
| logSw: | -4.5986 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.635 |
| InChI Key: | YBXWXOWUCSRQQM-UHFFFAOYSA-N |