2-hydroxyacetyl chloride

C2H3ClO2 — CID 14976555

IUPAC2-hydroxyacetyl chloride
SMILESO=C(Cl)CO
InChIInChI=1S/C2H3ClO2/c3-2(5)1-4/h4H,1H2
InChIKeyLCIMJULVQOQTEZ-UHFFFAOYSA-N
MW94.50 g/mol
LogP-0.26
Rot. Bonds1

About 2-hydroxyacetyl chloride

2-hydroxyacetyl chloride (PubChem CID 14976555) has the molecular formula C2H3ClO2 and a molecular weight of 94.50 g/mol. Its IUPAC name is 2-hydroxyacetyl chloride.

Molecular Properties

Compound Name2-hydroxyacetyl chloride
PubChem CID14976555
Molecular FormulaC2H3ClO2
Molecular Weight94.50 g/mol
Exact Mass93.98
IUPAC Name2-hydroxyacetyl chloride
SMILESO=C(Cl)CO
InChIInChI=1S/C2H3ClO2/c3-2(5)1-4/h4H,1H2
InChIKeyLCIMJULVQOQTEZ-UHFFFAOYSA-N
XLogP-0.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.50
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hydroxyacetyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetyl chloride?
The IUPAC name of 2-hydroxyacetyl chloride (CID 14976555) is 2-hydroxyacetyl chloride.
What is the SMILES notation for 2-hydroxyacetyl chloride?
The canonical SMILES for 2-hydroxyacetyl chloride is O=C(Cl)CO.
What is the InChIKey of 2-hydroxyacetyl chloride?
The InChIKey is LCIMJULVQOQTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClO2/c3-2(5)1-4/h4H,1H2.
What are the key properties of 2-hydroxyacetyl chloride?
2-hydroxyacetyl chloride has a molecular weight of 94.50 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetyl chloride is sourced from PubChem (CID 14976555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).