2-chloroethanol;ethenoxyethene

C6H11ClO2 — CID 19805128

IUPAC2-chloroethanol;ethenoxyethene
SMILESC=COC=C.OCCCl
InChIInChI=1S/C4H6O.C2H5ClO/c1-3-5-4-2;3-1-2-4/h3-4H,1-2H2;4H,1-2H2
InChIKeyPABOJGJNHPJANT-UHFFFAOYSA-N
MW150.60 g/mol
LogP1.51
Rot. Bonds3

About 2-chloroethanol;ethenoxyethene

2-chloroethanol;ethenoxyethene (PubChem CID 19805128) has the molecular formula C6H11ClO2 and a molecular weight of 150.60 g/mol. Its IUPAC name is 2-chloroethanol;ethenoxyethene.

Molecular Properties

Compound Name2-chloroethanol;ethenoxyethene
PubChem CID19805128
Molecular FormulaC6H11ClO2
Molecular Weight150.60 g/mol
Exact Mass150.04
IUPAC Name2-chloroethanol;ethenoxyethene
SMILESC=COC=C.OCCCl
InChIInChI=1S/C4H6O.C2H5ClO/c1-3-5-4-2;3-1-2-4/h3-4H,1-2H2;4H,1-2H2
InChIKeyPABOJGJNHPJANT-UHFFFAOYSA-N
XLogP1.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.60
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethanol;ethenoxyethene?
The IUPAC name of 2-chloroethanol;ethenoxyethene (CID 19805128) is 2-chloroethanol;ethenoxyethene.
What is the SMILES notation for 2-chloroethanol;ethenoxyethene?
The canonical SMILES for 2-chloroethanol;ethenoxyethene is C=COC=C.OCCCl.
What is the InChIKey of 2-chloroethanol;ethenoxyethene?
The InChIKey is PABOJGJNHPJANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.C2H5ClO/c1-3-5-4-2;3-1-2-4/h3-4H,1-2H2;4H,1-2H2.
What are the key properties of 2-chloroethanol;ethenoxyethene?
2-chloroethanol;ethenoxyethene has a molecular weight of 150.60 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethanol;ethenoxyethene is sourced from PubChem (CID 19805128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).