2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid

C9H8I2O4 — CID 118998450

IUPAC2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1ccc(I)c(C(O)C(=O)O)c1I
InChIInChI=1S/C9H8I2O4/c1-15-5-3-2-4(10)6(7(5)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyVLFBOXDPDQRWEZ-UHFFFAOYSA-N
MW433.97 g/mol
LogP2.02
Rot. Bonds3

About 2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid

2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid (PubChem CID 118998450) has the molecular formula C9H8I2O4 and a molecular weight of 433.97 g/mol. Its IUPAC name is 2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid
PubChem CID118998450
Molecular FormulaC9H8I2O4
Molecular Weight433.97 g/mol
Exact Mass433.85
IUPAC Name2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1ccc(I)c(C(O)C(=O)O)c1I
InChIInChI=1S/C9H8I2O4/c1-15-5-3-2-4(10)6(7(5)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyVLFBOXDPDQRWEZ-UHFFFAOYSA-N
XLogP2.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.97
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic 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

2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117352963
2-(2,5-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid
CID 118996626
2,3-diiodo-1,4-dimethoxybenzene
CID 11653980
(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid
CID 131029267
1-(2-iodo-6-methoxy-3-methylphenyl)ethanone
CID 171010641
3-iodo-2,6-dimethoxybenzoic acid
CID 13493770
2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid
CID 171001373
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 117328303
2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 67997136
2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid
CID 117443259

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid (CID 118998450) is 2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid is COc1ccc(I)c(C(O)C(=O)O)c1I.
What is the InChIKey of 2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is VLFBOXDPDQRWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8I2O4/c1-15-5-3-2-4(10)6(7(5)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14).
What are the key properties of 2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid?
2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 433.97 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 118998450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).