methyl {4,7-dimethyl-2-oxo-5-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {4,7-dimethyl-2-oxo-5-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-3-yl}acetate
methyl {4,7-dimethyl-2-oxo-5-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-3504 |
| Compound Name: | methyl {4,7-dimethyl-2-oxo-5-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 378.42 |
| Molecular Formula: | C23 H22 O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(C)cc(c12)OC/C=C/c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0372 |
| logD: | 5.0372 |
| logSw: | -4.9393 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.972 |
| InChI Key: | QKXWXGSOFNCEGO-UHFFFAOYSA-N |