4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | 4182-0399 |
| Compound Name: | 4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C26 H22 O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8527 |
| logD: | 2.8812 |
| logSw: | -5.6416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.295 |
| InChI Key: | WMCRRCLOPCJDAM-UHFFFAOYSA-N |