3-benzyl-4,8-dimethyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-4,8-dimethyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one
3-benzyl-4,8-dimethyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2259-4052 |
| Compound Name: | 3-benzyl-4,8-dimethyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C21 H20 O4 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OCC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8361 |
| logD: | 3.8361 |
| logSw: | -4.1578 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.494 |
| InChI Key: | WCRKMLALFZVZIB-UHFFFAOYSA-N |