methyl {4,8-dimethyl-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {4,8-dimethyl-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {4,8-dimethyl-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2533 |
| Compound Name: | methyl {4,8-dimethyl-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 330.38 |
| Molecular Formula: | C19 H22 O5 |
| Smiles: | CC(C)=CCOc1ccc2C(C)=C(CC(=O)OC)C(=O)Oc2c1C |
| Stereo: | ACHIRAL |
| logP: | 4.3501 |
| logD: | 4.3501 |
| logSw: | -4.6031 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.928 |
| InChI Key: | NTKUPZOCCYLBDE-UHFFFAOYSA-N |