3-benzyl-7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2H-1-benzopyran-2-one
3-benzyl-7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2003 |
| Compound Name: | 3-benzyl-7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 364.44 |
| Molecular Formula: | C23 H24 O4 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)OCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9349 |
| logD: | 4.9349 |
| logSw: | -4.8983 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.635 |
| InChI Key: | OFDMSANRJROCGK-UHFFFAOYSA-N |