methyl 2-[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoate
Chemical Structure Depiction of
methyl 2-[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoate
methyl 2-[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoate
Compound characteristics
| Compound ID: | 4182-0252 |
| Compound Name: | methyl 2-[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoate |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C21 H20 O5 |
| Smiles: | CC(C(=O)OC)Oc1ccc2C(C)=C(Cc3ccccc3)C(=O)Oc2c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8493 |
| logD: | 3.8493 |
| logSw: | -4.1273 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.851 |
| InChI Key: | IELFYDBXQUSUSK-AWEZNQCLSA-N |