Etalocib
2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid
Molecular Identity
Etalocib
2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid
PubChem CID: 177941
LY293111 is an aromatic ether.
2D Structure
Properties
C33H33FO6
Molecular Formula
544.60
Molecular Weight
g/mol
544.2261
Exact Mass
Da
8.5
XLogP
Above Lipinski threshold
85.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
742
Complexity
SMILES
Canonical SMILES
SMILES: CCCC1=C(C=CC=C1OC2=CC=CC=C2C(=O)O)OCCCOC3=CC(=C(C=C3CC)C4=CC=C(C=C4)F)OIsomeric SMILES
SMILES: CCCC1=C(C=CC=C1OC2=CC=CC=C2C(=O)O)OCCCOC3=CC(=C(C=C3CC)C4=CC=C(C=C4)F)OSynonyms(20)
Etalocib161172-51-6LY293111VML 295LY 293111VML2952-(3-(3-((5-ethyl-4'-fluoro-2-hydroxy-[1,1'-biphenyl]-4-yl)oxy)propoxy)-2-propylphenoxy)benzoic acidTHY6RIW44RLY-2931112-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenoxy]benzoic acidLY-1931112-[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]benzoic acidDTXSID701670732-(2-propyl-3-(3-(2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy)propoxy)phenoxy)benzoic acidetalocibum
Data from PubChem (NCBI)
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