2-hydroxyethylchloranium

C2H6ClO+ — CID 56997025

IUPAC2-hydroxyethylchloranium
SMILESOCC[ClH+]
InChIInChI=1S/C2H6ClO/c3-1-2-4/h3-4H,1-2H2/q+1
InChIKeyVIBFIAPVLSYVTJ-UHFFFAOYSA-N
MW81.52 g/mol
LogP-0.74
Rot. Bonds1

About 2-hydroxyethylchloranium

2-hydroxyethylchloranium (PubChem CID 56997025) has the molecular formula C2H6ClO+ and a molecular weight of 81.52 g/mol. Its IUPAC name is 2-hydroxyethylchloranium.

Molecular Properties

Compound Name2-hydroxyethylchloranium
PubChem CID56997025
Molecular FormulaC2H6ClO+
Molecular Weight81.52 g/mol
Exact Mass81.01
IUPAC Name2-hydroxyethylchloranium
SMILESOCC[ClH+]
InChIInChI=1S/C2H6ClO/c3-1-2-4/h3-4H,1-2H2/q+1
InChIKeyVIBFIAPVLSYVTJ-UHFFFAOYSA-N
XLogP-0.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.52
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Chloroethanol
CID 34
Propylene Chlorohydrin
CID 6566
2,2-Dichloroethanol
CID 11718
(S)-(+)-2-Chloro-1-propanol
CID 641045
1-Propanol, 2-chloro-, (2R)-
CID 181530
Ethanol, 1,2-dichloro-
CID 156449
2-Chloroethanol-1,1,2,2-d4
CID 16213274
2-Chloro-2-fluoroethan-1-ol
CID 18517415
1-Chloroethan-1-ol
CID 12639035
Chloroethanol-water
CID 17867088
Ethylene glycol monochloride
CID 21102326
2-Chloroethanol-water
CID 129668439

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethylchloranium?
The IUPAC name of 2-hydroxyethylchloranium (CID 56997025) is 2-hydroxyethylchloranium.
What is the SMILES notation for 2-hydroxyethylchloranium?
The canonical SMILES for 2-hydroxyethylchloranium is OCC[ClH+].
What is the InChIKey of 2-hydroxyethylchloranium?
The InChIKey is VIBFIAPVLSYVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClO/c3-1-2-4/h3-4H,1-2H2/q+1.
What are the key properties of 2-hydroxyethylchloranium?
2-hydroxyethylchloranium has a molecular weight of 81.52 g/mol, XLogP of -0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethylchloranium is sourced from PubChem (CID 56997025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).