(E)-2-chloroethenol

C2H3ClO — CID 13201918

IUPAC(E)-2-chloroethenol
SMILESO/C=C/Cl
InChIInChI=1S/C2H3ClO/c3-1-2-4/h1-2,4H/b2-1+
InChIKeyOJCQMWILYJMEOD-OWOJBTEDSA-N
MW78.50 g/mol
LogP1.25
Rot. Bonds

About (E)-2-chloroethenol

(E)-2-chloroethenol (PubChem CID 13201918) has the molecular formula C2H3ClO and a molecular weight of 78.50 g/mol. Its IUPAC name is (E)-2-chloroethenol.

Molecular Properties

Compound Name(E)-2-chloroethenol
PubChem CID13201918
Molecular FormulaC2H3ClO
Molecular Weight78.50 g/mol
Exact Mass77.99
IUPAC Name(E)-2-chloroethenol
SMILESO/C=C/Cl
InChIInChI=1S/C2H3ClO/c3-1-2-4/h1-2,4H/b2-1+
InChIKeyOJCQMWILYJMEOD-OWOJBTEDSA-N
XLogP1.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.50
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-chloroethenol?
The IUPAC name of (E)-2-chloroethenol (CID 13201918) is (E)-2-chloroethenol.
What is the SMILES notation for (E)-2-chloroethenol?
The canonical SMILES for (E)-2-chloroethenol is O/C=C/Cl.
What is the InChIKey of (E)-2-chloroethenol?
The InChIKey is OJCQMWILYJMEOD-OWOJBTEDSA-N. The full InChI is InChI=1S/C2H3ClO/c3-1-2-4/h1-2,4H/b2-1+.
What are the key properties of (E)-2-chloroethenol?
(E)-2-chloroethenol has a molecular weight of 78.50 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloroethenol is sourced from PubChem (CID 13201918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).