2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid

C11H13IO5 — CID 82995027

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid
SMILESO=C(O)c1cc(I)ccc1OCCOCCO
InChIInChI=1S/C11H13IO5/c12-8-1-2-10(9(7-8)11(14)15)17-6-5-16-4-3-13/h1-2,7,13H,3-6H2,(H,14,15)
InChIKeyDVRDRTGDVPUQLQ-UHFFFAOYSA-N
MW352.12 g/mol
LogP1.38
Rot. Bonds7

About 2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid

2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid (PubChem CID 82995027) has the molecular formula C11H13IO5 and a molecular weight of 352.12 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid
PubChem CID82995027
Molecular FormulaC11H13IO5
Molecular Weight352.12 g/mol
Exact Mass351.98
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid
SMILESO=C(O)c1cc(I)ccc1OCCOCCO
InChIInChI=1S/C11H13IO5/c12-8-1-2-10(9(7-8)11(14)15)17-6-5-16-4-3-13/h1-2,7,13H,3-6H2,(H,14,15)
InChIKeyDVRDRTGDVPUQLQ-UHFFFAOYSA-N
XLogP1.38
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.12
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic 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

5-iodo-2-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103408924
5-iodo-2-propoxybenzoic acid
CID 10804556
5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid
CID 112587928
5-iodo-2-[3-(2,2,2-trifluoroethoxy)propoxy]benzoic acid
CID 82995562
5-iodo-2-pentoxybenzoic acid
CID 82996012
2-(2-tert-butylsulfonylethoxy)-5-iodobenzoic acid
CID 103696890
2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid
CID 82994875
2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol
CID 69060853
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 45306729
2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
CID 89126006
5-iodo-2-(2-methylbutoxy)benzoic acid
CID 82995336

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid (CID 82995027) is 2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid is O=C(O)c1cc(I)ccc1OCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid?
The InChIKey is DVRDRTGDVPUQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO5/c12-8-1-2-10(9(7-8)11(14)15)17-6-5-16-4-3-13/h1-2,7,13H,3-6H2,(H,14,15).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid?
2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid has a molecular weight of 352.12 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid is sourced from PubChem (CID 82995027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).