3-{7-[(2,6-dichlorophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{7-[(2,6-dichlorophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
3-{7-[(2,6-dichlorophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
Compound ID: | Y040-3875 |
Compound Name: | 3-{7-[(2,6-dichlorophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid |
Molecular Weight: | 407.25 |
Molecular Formula: | C20 H16 Cl2 O5 |
Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc12)OCc1c(cccc1[Cl])[Cl] |
Stereo: | ACHIRAL |
logP: | 4.4932 |
logD: | 1.9969 |
logSw: | -4.4079 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.771 |
InChI Key: | VZHLTZNWRWATAA-UHFFFAOYSA-N |