4-methyl-7-(2-oxopropoxy)-3-propyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-methyl-7-(2-oxopropoxy)-3-propyl-2H-1-benzopyran-2-one
4-methyl-7-(2-oxopropoxy)-3-propyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0127 |
| Compound Name: | 4-methyl-7-(2-oxopropoxy)-3-propyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 274.31 |
| Molecular Formula: | C16 H18 O4 |
| Smiles: | CCCC1=C(C)c2ccc(cc2OC1=O)OCC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7616 |
| logD: | 2.7616 |
| logSw: | -3.0141 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.994 |
| InChI Key: | LSPQIFQBLHSSEU-UHFFFAOYSA-N |