chempirical

Iodoethanol

C2H5IOCAS 624-76-0171.97 g/mol

Open in Covalent MOL file
HOI
AlcoholAlkyl halide

Properties

Molecular formula
C2H5IO
Molar mass
171.97 g/mol
Exact mass
171.9385 Da
Melting point
120 °C
Boiling point
85–88 °C (at 25 Torr)
logP
0.41Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
624-76-0
SMILES
OCCI
InChIKey
QSECPQCFCWVBKM-UHFFFAOYSA-N
InChI
InChI=1S/C2H5IO/c3-1-2-4/h4H,1-2H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Ethanol, 2-iodo-
  • 2-Iodoethanol
  • Ethylene iodohydrin
  • NSC 85227
  • 2-Hydroxyethyl iodide
  • 2-Iodoethan-1-ol

Work with Iodoethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethylene glycol107-21-142 % similar Polyethylene glycol25322-68-342 % similar 1,2-Diiodoethane624-73-742 % similar 1,4-Butanediol110-63-436 % similar Polytetrahydrofuran25190-06-136 % similar 1,3-Propanediol504-63-236 % similar 1,3-Diiodopropane627-31-636 % similar 1,4-Piperazinediethanol122-96-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook