3-(3,4-dimethoxyphenyl)-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
3-(3,4-dimethoxyphenyl)-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-3472 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 366.41 |
| Molecular Formula: | C22 H22 O5 |
| Smiles: | CC(C)=CCOc1ccc2C=C(C(=O)Oc2c1)c1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6014 |
| logD: | 4.6014 |
| logSw: | -4.5969 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.567 |
| InChI Key: | NXCKFIUEBHNPID-UHFFFAOYSA-N |