2-chloroethanol;tetrahydrochloride

C2H9Cl5O — CID 175381229

IUPAC2-chloroethanol;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.OCCCl
InChIInChI=1S/C2H5ClO.4ClH/c3-1-2-4;;;;/h4H,1-2H2;4*1H
InChIKeyGWUSZCCACZIXIE-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.90
Rot. Bonds1

About 2-chloroethanol;tetrahydrochloride

2-chloroethanol;tetrahydrochloride (PubChem CID 175381229) has the molecular formula C2H9Cl5O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-chloroethanol;tetrahydrochloride.

Molecular Properties

Compound Name2-chloroethanol;tetrahydrochloride
PubChem CID175381229
Molecular FormulaC2H9Cl5O
Molecular Weight226.36 g/mol
Exact Mass223.91
IUPAC Name2-chloroethanol;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.OCCCl
InChIInChI=1S/C2H5ClO.4ClH/c3-1-2-4;;;;/h4H,1-2H2;4*1H
InChIKeyGWUSZCCACZIXIE-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.90
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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethanol;tetrahydrochloride?
The IUPAC name of 2-chloroethanol;tetrahydrochloride (CID 175381229) is 2-chloroethanol;tetrahydrochloride.
What is the SMILES notation for 2-chloroethanol;tetrahydrochloride?
The canonical SMILES for 2-chloroethanol;tetrahydrochloride is Cl.Cl.Cl.Cl.OCCCl.
What is the InChIKey of 2-chloroethanol;tetrahydrochloride?
The InChIKey is GWUSZCCACZIXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClO.4ClH/c3-1-2-4;;;;/h4H,1-2H2;4*1H.
What are the key properties of 2-chloroethanol;tetrahydrochloride?
2-chloroethanol;tetrahydrochloride has a molecular weight of 226.36 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethanol;tetrahydrochloride is sourced from PubChem (CID 175381229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).