7-(3,3-dimethyl-2-oxobutoxy)-4-(4-methoxyphenyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutoxy)-4-(4-methoxyphenyl)-2H-1-benzopyran-2-one
7-(3,3-dimethyl-2-oxobutoxy)-4-(4-methoxyphenyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2401 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutoxy)-4-(4-methoxyphenyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 366.41 |
| Molecular Formula: | C22 H22 O5 |
| Smiles: | CC(C)(C)C(COc1ccc2C(=CC(=O)Oc2c1)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0377 |
| logD: | 4.0377 |
| logSw: | -4.4355 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.664 |
| InChI Key: | SLWRJZJFIKCLDB-UHFFFAOYSA-N |