4-({4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
4-({4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 4228-1012 |
| Compound Name: | 4-({4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid |
| Molecular Weight: | 414.41 |
| Molecular Formula: | C25 H18 O6 |
| Smiles: | COc1cc(C=C2C(c3ccccc3C2=O)=O)ccc1OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4173 |
| logD: | 1.4458 |
| logSw: | -4.4824 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.899 |
| InChI Key: | KEYHDCISXSVHEP-UHFFFAOYSA-N |