ethenol chloride

C2H4ClO- — CID 19833463

IUPACethenol chloride
SMILESC=CO.[Cl-]
InChIInChI=1S/C2H4O.ClH/c1-2-3;/h2-3H,1H2;1H/p-1
InChIKeyDRNBLNIUGKCELA-UHFFFAOYSA-M
MW79.51 g/mol
LogP-2.31
Rot. Bonds

About ethenol chloride

ethenol chloride (PubChem CID 19833463) has the molecular formula C2H4ClO- and a molecular weight of 79.51 g/mol. Its IUPAC name is ethenol chloride.

Molecular Properties

Compound Nameethenol chloride
PubChem CID19833463
Molecular FormulaC2H4ClO-
Molecular Weight79.51 g/mol
Exact Mass79.00
IUPAC Nameethenol chloride
SMILESC=CO.[Cl-]
InChIInChI=1S/C2H4O.ClH/c1-2-3;/h2-3H,1H2;1H/p-1
InChIKeyDRNBLNIUGKCELA-UHFFFAOYSA-M
XLogP-2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.51
LogP ≤ 5-2.31
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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Related Compounds

CID 174896801
CID 174896801
alumane;ethene;ethenol
CID 173194951
cyclohexane;ethenol
CID 168894099
dioxovanadium;ethenol
CID 87452525
bis(dihydroxy(oxo)phosphanium);ethenol
CID 87088723
ethenol;pyrimidine
CID 174498659
ethenol;hexane
CID 22706833
ethenol;prop-2-en-1-ol;titanium;dihydrate
CID 88804274
CID 134902859
CID 134902859
ethenol;heptadecane
CID 158851930
ethenol;oxotitanium;prop-2-en-1-ol
CID 88804275
ethenol;trimethoxysilane
CID 175251073

Frequently Asked Questions

What is the IUPAC name of ethenol chloride?
The IUPAC name of ethenol chloride (CID 19833463) is ethenol chloride.
What is the SMILES notation for ethenol chloride?
The canonical SMILES for ethenol chloride is C=CO.[Cl-].
What is the InChIKey of ethenol chloride?
The InChIKey is DRNBLNIUGKCELA-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O.ClH/c1-2-3;/h2-3H,1H2;1H/p-1.
What are the key properties of ethenol chloride?
ethenol chloride has a molecular weight of 79.51 g/mol, XLogP of -2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol chloride is sourced from PubChem (CID 19833463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).