2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid

C14H9I3O4 — CID 5803

IUPAC2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
SMILESO=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
InChIInChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
InChIKeyUOWZUVNAGUAEQC-UHFFFAOYSA-N
MW621.93 g/mol
LogP4.63
Rot. Bonds4

About 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid

2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid (PubChem CID 5803) has the molecular formula C14H9I3O4 and a molecular weight of 621.93 g/mol. Its IUPAC name is 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
PubChem CID5803
Molecular FormulaC14H9I3O4
Molecular Weight621.93 g/mol
Exact Mass621.76
IUPAC Name2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
SMILESO=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
InChIInChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
InChIKeyUOWZUVNAGUAEQC-UHFFFAOYSA-N
XLogP4.63
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.93
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Liothyronine
CID 5920
Thyroxine
CID 5819
3,5-diiodo-DL-thyronine
CID 123675
Liothyronine Sodium
CID 23666110
Tetraiodothyroacetic acid
CID 65552
D-Thyroxine
CID 8730
p-CRESYL PHENYLACETATE
CID 60997
3',5',3-Triiodothyronine
CID 644280
3,5-Diiodothyropropionic acid
CID 160565
(2S)-2-ammonio-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate
CID 25201348
3,3'-Diiodo-L-thyronine
CID 107564
DL-3,3',5'-Triiodothyronine
CID 22069

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid?
The IUPAC name of 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid (CID 5803) is 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid.
What is the SMILES notation for 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid?
The canonical SMILES for 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid is O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1.
What is the InChIKey of 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid?
The InChIKey is UOWZUVNAGUAEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20).
What are the key properties of 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid?
2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid has a molecular weight of 621.93 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid is sourced from PubChem (CID 5803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).