2-chloroethyl 2-hydroxyacetate

C4H7ClO3 — CID 10034696

IUPAC2-chloroethyl 2-hydroxyacetate
SMILESO=C(CO)OCCCl
InChIInChI=1S/C4H7ClO3/c5-1-2-8-4(7)3-6/h6H,1-3H2
InChIKeyKOOPGSDTMDXWTG-UHFFFAOYSA-N
MW138.55 g/mol
LogP-0.24
Rot. Bonds3

About 2-chloroethyl 2-hydroxyacetate

2-chloroethyl 2-hydroxyacetate (PubChem CID 10034696) has the molecular formula C4H7ClO3 and a molecular weight of 138.55 g/mol. Its IUPAC name is 2-chloroethyl 2-hydroxyacetate.

Molecular Properties

Compound Name2-chloroethyl 2-hydroxyacetate
PubChem CID10034696
Molecular FormulaC4H7ClO3
Molecular Weight138.55 g/mol
Exact Mass138.01
IUPAC Name2-chloroethyl 2-hydroxyacetate
SMILESO=C(CO)OCCCl
InChIInChI=1S/C4H7ClO3/c5-1-2-8-4(7)3-6/h6H,1-3H2
InChIKeyKOOPGSDTMDXWTG-UHFFFAOYSA-N
XLogP-0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.55
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl 2-hydroxyacetate?
The IUPAC name of 2-chloroethyl 2-hydroxyacetate (CID 10034696) is 2-chloroethyl 2-hydroxyacetate.
What is the SMILES notation for 2-chloroethyl 2-hydroxyacetate?
The canonical SMILES for 2-chloroethyl 2-hydroxyacetate is O=C(CO)OCCCl.
What is the InChIKey of 2-chloroethyl 2-hydroxyacetate?
The InChIKey is KOOPGSDTMDXWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO3/c5-1-2-8-4(7)3-6/h6H,1-3H2.
What are the key properties of 2-chloroethyl 2-hydroxyacetate?
2-chloroethyl 2-hydroxyacetate has a molecular weight of 138.55 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 2-hydroxyacetate is sourced from PubChem (CID 10034696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).