2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid

C8H6I2O4 — CID 118839559

IUPAC2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid
SMILESO=C(O)C(O)c1cc(I)c(I)cc1O
InChIInChI=1S/C8H6I2O4/c9-4-1-3(7(12)8(13)14)6(11)2-5(4)10/h1-2,7,11-12H,(H,13,14)
InChIKeyJSYAGJAYSXJDRJ-UHFFFAOYSA-N
MW419.94 g/mol
LogP1.72
Rot. Bonds2

About 2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid

2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid (PubChem CID 118839559) has the molecular formula C8H6I2O4 and a molecular weight of 419.94 g/mol. Its IUPAC name is 2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid
PubChem CID118839559
Molecular FormulaC8H6I2O4
Molecular Weight419.94 g/mol
Exact Mass419.84
IUPAC Name2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid
SMILESO=C(O)C(O)c1cc(I)c(I)cc1O
InChIInChI=1S/C8H6I2O4/c9-4-1-3(7(12)8(13)14)6(11)2-5(4)10/h1-2,7,11-12H,(H,13,14)
InChIKeyJSYAGJAYSXJDRJ-UHFFFAOYSA-N
XLogP1.72
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.94
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid
CID 118991913
2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid
CID 134639181
(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
CID 139199353
potassium;hydride;(2R)-2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256865
2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117280331
2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 117310466
2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid
CID 117300056
2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 119022274
CID 70117604
CID 70117604
2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid
CID 117344139
sodium;hydride;2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256812
2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid
CID 130882882

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid (CID 118839559) is 2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid is O=C(O)C(O)c1cc(I)c(I)cc1O.
What is the InChIKey of 2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid?
The InChIKey is JSYAGJAYSXJDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6I2O4/c9-4-1-3(7(12)8(13)14)6(11)2-5(4)10/h1-2,7,11-12H,(H,13,14).
What are the key properties of 2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid?
2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid has a molecular weight of 419.94 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid is sourced from PubChem (CID 118839559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).