3-{4,8-dimethyl-2-oxo-7-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{4,8-dimethyl-2-oxo-7-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-3-yl}propanoic acid
3-{4,8-dimethyl-2-oxo-7-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | D715-1147 |
| Compound Name: | 3-{4,8-dimethyl-2-oxo-7-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-3-yl}propanoic acid |
| Molecular Weight: | 378.42 |
| Molecular Formula: | C23 H22 O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2c1ccc(c2C)OC/C=C/c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7188 |
| logD: | 2.2226 |
| logSw: | -4.5337 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.461 |
| InChI Key: | RJJLNVQCXWLTET-UHFFFAOYSA-N |