Molecules/2-(2,6-Dimethyl-4-((1E)-3-(4-(methylthio)phenyl)-3-oxo-1-propen-1-yl)phenoxy)-2-methylpropanoic acid
2-(2,6-Dimethyl-4-((1E)-3-(4-(methylthio)phenyl)-3-oxo-1-propen-1-yl)phenoxy)-2-methylpropanoic acid
2-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid
Molecular Identity
2-(2,6-Dimethyl-4-((1E)-3-(4-(methylthio)phenyl)-3-oxo-1-propen-1-yl)phenoxy)-2-methylpropanoic acid
2-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid
PubChem CID: 9864881
2D Structure
Properties
C22H24O4S
Molecular Formula
384.50
Molecular Weight
g/mol
384.1395
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
88.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
537
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)C=CC(=O)C2=CC=C(C=C2)SCIsomeric SMILES
SMILES: CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)/C=C/C(=O)C2=CC=C(C=C2)SCSynonyms(20)
Elafibranor923978-27-2824932-88-9Iqirvo2-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid2J3H5C81A52-[2,6-dimethyl-4-[(1E)-3-[4-(methylthio)phenyl]-3-oxo-1-propen-1-yl]phenoxy]-2-methylpropanoic acidDTXSID6010453302-{2,6-dimethyl-4-[(1E)-3-[4-(methylsulfanyl)phenyl]-3-oxoprop-1-en-1-yl]phenoxy}-2-methylpropanoic acid2-(2,6-Dimethyl-4-((1E)-3-(4-(methylthio)phenyl)-3-oxo-1-propen-1-yl)phenoxy)-2-methylpropanoic acidelafibranorum2-(2,6-dimethyl-4-((1E)-3-(4-(methylsulfanyl)phenyl)-3-oxoprop-1-en-1-yl)phenoxy)-2-methylpropanoic acid2-(2,6-dimethyl-4-((E)-3-(4-methylsulfanylphenyl)-3-oxoprop-1-enyl)phenoxy)-2-methylpropanoic acidRefChem:590672DTXCID601527265
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Molecular Structure
2-(2,6-Dimethyl-4-((1E)-3-(4-(methylthio)phenyl)-3-oxo-1-propen-1-yl)phenoxy)-2-methylpropanoic acid
Loading structure...
Drug Network
Trials and conditions connected to 2-(2,6-Dimethyl-4-((1E)-3-(4-(methylthio)phenyl)-3-oxo-1-propen-1-yl)phenoxy)-2-methylpropanoic acid
Loading drug network...