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 |