Molecule ID: 160565

IUPAC Name: 3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid

Description: The molecule is a monocarboxylic acid that is (4-hydroxy-3,5-diiodophenyl)propanoic acid in which the phenolic hydroxy group has been replaced by a 4-hydroxyphenyl group. An ionotropic analogue of L-thyroxine. It is an organoiodine compound, an aromatic ether, a member of phenols and a monocarboxylic acid.

SMILES: O=C(O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1

SELFIES: [O][=C][Branch1][C][O][C][C][C][=C][C][Branch1][C][I][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][I][=C][Ring1][S]

InChI: InChI=1S/C15H12I2O4/c16-12-7-9(1-6-14(19)20)8-13(17)15(12)21-11-4-2-10(18)3-5-11/h2-5,7-8,18H,1,6H2,(H,19,20)

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 4.2