methyl 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanoate
Chemical Structure Depiction of
methyl 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanoate
methyl 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanoate
Compound characteristics
| Compound ID: | Y040-0326 |
| Compound Name: | methyl 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanoate |
| Molecular Weight: | 366.41 |
| Molecular Formula: | C22 H22 O5 |
| Smiles: | CC(C(=O)OC)Oc1cc(C)cc2c1C(C)=C(Cc1ccccc1)C(=O)O2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7792 |
| logD: | 4.7792 |
| logSw: | -4.8232 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.938 |
| InChI Key: | LOZVNYDDAJDXCX-HNNXBMFYSA-N |