2-(3-hydroxy-2,5-diiodophenyl)acetic acid

C8H6I2O3 — CID 119013738

IUPAC2-(3-hydroxy-2,5-diiodophenyl)acetic acid
SMILESO=C(O)Cc1cc(I)cc(O)c1I
InChIInChI=1S/C8H6I2O3/c9-5-1-4(2-7(12)13)8(10)6(11)3-5/h1,3,11H,2H2,(H,12,13)
InChIKeyGDRJQUAXUHHLDL-UHFFFAOYSA-N
MW403.94 g/mol
LogP2.23
Rot. Bonds2

About 2-(3-hydroxy-2,5-diiodophenyl)acetic acid

2-(3-hydroxy-2,5-diiodophenyl)acetic acid (PubChem CID 119013738) has the molecular formula C8H6I2O3 and a molecular weight of 403.94 g/mol. Its IUPAC name is 2-(3-hydroxy-2,5-diiodophenyl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-2,5-diiodophenyl)acetic acid
PubChem CID119013738
Molecular FormulaC8H6I2O3
Molecular Weight403.94 g/mol
Exact Mass403.84
IUPAC Name2-(3-hydroxy-2,5-diiodophenyl)acetic acid
SMILESO=C(O)Cc1cc(I)cc(O)c1I
InChIInChI=1S/C8H6I2O3/c9-5-1-4(2-7(12)13)8(10)6(11)3-5/h1,3,11H,2H2,(H,12,13)
InChIKeyGDRJQUAXUHHLDL-UHFFFAOYSA-N
XLogP2.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-hydroxy-2,5-diiodophenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-2,5-diiodobenzamide
CID 119020425
2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid
CID 57419640
2-(2-ethyl-4-iodophenyl)acetic acid
CID 91883775
2-(3-bromo-5-fluoro-2-iodophenyl)acetic acid
CID 131621164
(E)-2,3-bis[(2-hydroxy-3,5-diiodophenyl)methyl]but-2-enedioic acid
CID 67824936
2-[(2,3,5-triiodophenyl)methoxy]acetic acid
CID 71054031
2-[2,3-bis(carboxymethyl)-4-iodophenyl]acetic acid
CID 67126881
2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid
CID 142647558
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
2-oxo-2-[(2,3,5-triiodophenyl)methoxy]acetic acid
CID 175638345
2-(7-hydroxy-8-iodo-2-oxochromen-4-yl)acetic acid
CID 165346111
2-(3,4-dihydroxyphenyl)acetic acid
CID 547

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2,5-diiodophenyl)acetic acid?
The IUPAC name of 2-(3-hydroxy-2,5-diiodophenyl)acetic acid (CID 119013738) is 2-(3-hydroxy-2,5-diiodophenyl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-2,5-diiodophenyl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-2,5-diiodophenyl)acetic acid is O=C(O)Cc1cc(I)cc(O)c1I.
What is the InChIKey of 2-(3-hydroxy-2,5-diiodophenyl)acetic acid?
The InChIKey is GDRJQUAXUHHLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6I2O3/c9-5-1-4(2-7(12)13)8(10)6(11)3-5/h1,3,11H,2H2,(H,12,13).
What are the key properties of 2-(3-hydroxy-2,5-diiodophenyl)acetic acid?
2-(3-hydroxy-2,5-diiodophenyl)acetic acid has a molecular weight of 403.94 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2,5-diiodophenyl)acetic acid is sourced from PubChem (CID 119013738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).