ethyl 2-chloro-2-hydroxyacetate

C4H7ClO3 — CID 19966506

IUPACethyl 2-chloro-2-hydroxyacetate
SMILESCCOC(=O)C(O)Cl
InChIInChI=1S/C4H7ClO3/c1-2-8-4(7)3(5)6/h3,6H,2H2,1H3
InChIKeyYSNVICWYXOBIQZ-UHFFFAOYSA-N
MW138.55 g/mol
LogP0.11
Rot. Bonds2

About ethyl 2-chloro-2-hydroxyacetate

ethyl 2-chloro-2-hydroxyacetate (PubChem CID 19966506) has the molecular formula C4H7ClO3 and a molecular weight of 138.55 g/mol. Its IUPAC name is ethyl 2-chloro-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-hydroxyacetate
PubChem CID19966506
Molecular FormulaC4H7ClO3
Molecular Weight138.55 g/mol
Exact Mass138.01
IUPAC Nameethyl 2-chloro-2-hydroxyacetate
SMILESCCOC(=O)C(O)Cl
InChIInChI=1S/C4H7ClO3/c1-2-8-4(7)3(5)6/h3,6H,2H2,1H3
InChIKeyYSNVICWYXOBIQZ-UHFFFAOYSA-N
XLogP0.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.55
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-chloro-2-hydroxyacetate with MolForge

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

Launch Full Analysis

Related Compounds

diethyl (2S,3R)-2,3-dichlorobutanedioate
CID 13402517
chloroform;ethyl acetate
CID 173213410
chloroform;ethyl acetate
CID 22063688
chloroform;ethyl acetate
CID 173321498
octadecyl 2-chloro-2-hydroxyacetate
CID 174607709
ethyl (2S,3S)-4-amino-3-chloro-2-hydroxy-4-oxobutanoate
CID 101037342
sodium;chloroform;ethyl acetate;hydride
CID 175038469
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
ethyl 2-bromo-2-hydroxyacetate
CID 57173380
ethyl 2-amino-2-hydroxyacetate;hydrochloride
CID 88745536
ethyl 2-hydroxybutanoate
CID 521365
chloroform;ethanol;ethyl acetate;hexane
CID 158070292

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-hydroxyacetate?
The IUPAC name of ethyl 2-chloro-2-hydroxyacetate (CID 19966506) is ethyl 2-chloro-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-chloro-2-hydroxyacetate?
The canonical SMILES for ethyl 2-chloro-2-hydroxyacetate is CCOC(=O)C(O)Cl.
What is the InChIKey of ethyl 2-chloro-2-hydroxyacetate?
The InChIKey is YSNVICWYXOBIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO3/c1-2-8-4(7)3(5)6/h3,6H,2H2,1H3.
What are the key properties of ethyl 2-chloro-2-hydroxyacetate?
ethyl 2-chloro-2-hydroxyacetate has a molecular weight of 138.55 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-hydroxyacetate is sourced from PubChem (CID 19966506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).