1,2-diiodoethane-1,1-diol

C2H4I2O2 — CID 90724199

IUPAC1,2-diiodoethane-1,1-diol
SMILESOC(O)(I)CI
InChIInChI=1S/C2H4I2O2/c3-1-2(4,5)6/h5-6H,1H2
InChIKeySZDILPULMRLJEA-UHFFFAOYSA-N
MW313.86 g/mol
LogP0.49
Rot. Bonds1

About 1,2-diiodoethane-1,1-diol

1,2-diiodoethane-1,1-diol (PubChem CID 90724199) has the molecular formula C2H4I2O2 and a molecular weight of 313.86 g/mol. Its IUPAC name is 1,2-diiodoethane-1,1-diol.

Molecular Properties

Compound Name1,2-diiodoethane-1,1-diol
PubChem CID90724199
Molecular FormulaC2H4I2O2
Molecular Weight313.86 g/mol
Exact Mass313.83
IUPAC Name1,2-diiodoethane-1,1-diol
SMILESOC(O)(I)CI
InChIInChI=1S/C2H4I2O2/c3-1-2(4,5)6/h5-6H,1H2
InChIKeySZDILPULMRLJEA-UHFFFAOYSA-N
XLogP0.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.86
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1,2-diiodoethane-1,1-diol 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

1,1,2,2,3-pentaiodopropan-1-ol
CID 141015392
1,1-dibromo-1,2-diiodoethane
CID 87996140
1,1-diiodopropan-1-ol
CID 54306694
2-fluoro-2,3-diiodopropanoic acid
CID 129231001
(2S)-2-fluoro-1,2-diiodopropane
CID 173497800
(2S)-2-iodobutan-2-ol
CID 126611697
[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] 2,3-diiodo-2-methylpropanoate
CID 154488634
1,1,1,2,3,4,4,4-octaiodobut-2-ene
CID 172825779
1-chloro-1-iodopropan-1-ol
CID 23322646
2-iodo-1,1-diphenylethanol
CID 11738821
2,2,3-triiodo-N-methylpropanamide
CID 119095901
2-(iodomethyl)-2-methylpropane-1,3-diol
CID 119096580

Frequently Asked Questions

What is the IUPAC name of 1,2-diiodoethane-1,1-diol?
The IUPAC name of 1,2-diiodoethane-1,1-diol (CID 90724199) is 1,2-diiodoethane-1,1-diol.
What is the SMILES notation for 1,2-diiodoethane-1,1-diol?
The canonical SMILES for 1,2-diiodoethane-1,1-diol is OC(O)(I)CI.
What is the InChIKey of 1,2-diiodoethane-1,1-diol?
The InChIKey is SZDILPULMRLJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4I2O2/c3-1-2(4,5)6/h5-6H,1H2.
What are the key properties of 1,2-diiodoethane-1,1-diol?
1,2-diiodoethane-1,1-diol has a molecular weight of 313.86 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diiodoethane-1,1-diol is sourced from PubChem (CID 90724199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).