3-benzyl-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
3-benzyl-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2022 |
| Compound Name: | 3-benzyl-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 334.41 |
| Molecular Formula: | C22 H22 O3 |
| Smiles: | CC(C)=CCOc1ccc2C(C)=C(Cc3ccccc3)C(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5871 |
| logD: | 5.5871 |
| logSw: | -5.6126 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.3063 |
| InChI Key: | TWQSLBYGQHBMJM-UHFFFAOYSA-N |