3-{4,8-dimethyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{4,8-dimethyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
3-{4,8-dimethyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | D715-1113 |
| Compound Name: | 3-{4,8-dimethyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid |
| Molecular Weight: | 366.41 |
| Molecular Formula: | C22 H22 O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2c1ccc(c2C)OCc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6348 |
| logD: | 2.1386 |
| logSw: | -4.6109 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.542 |
| InChI Key: | MLBLCHZEWMIPLB-UHFFFAOYSA-N |