2-chloro-2-(2-hydroxyethoxy)propanal

C5H9ClO3 — CID 141321956

IUPAC2-chloro-2-(2-hydroxyethoxy)propanal
SMILESCC(Cl)(C=O)OCCO
InChIInChI=1S/C5H9ClO3/c1-5(6,4-8)9-3-2-7/h4,7H,2-3H2,1H3
InChIKeyQGCUAASEHQJSRJ-UHFFFAOYSA-N
MW152.58 g/mol
LogP0.15
Rot. Bonds4

About 2-chloro-2-(2-hydroxyethoxy)propanal

2-chloro-2-(2-hydroxyethoxy)propanal (PubChem CID 141321956) has the molecular formula C5H9ClO3 and a molecular weight of 152.58 g/mol. Its IUPAC name is 2-chloro-2-(2-hydroxyethoxy)propanal.

Molecular Properties

Compound Name2-chloro-2-(2-hydroxyethoxy)propanal
PubChem CID141321956
Molecular FormulaC5H9ClO3
Molecular Weight152.58 g/mol
Exact Mass152.02
IUPAC Name2-chloro-2-(2-hydroxyethoxy)propanal
SMILESCC(Cl)(C=O)OCCO
InChIInChI=1S/C5H9ClO3/c1-5(6,4-8)9-3-2-7/h4,7H,2-3H2,1H3
InChIKeyQGCUAASEHQJSRJ-UHFFFAOYSA-N
XLogP0.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2-hydroxyethoxy)propanal?
The IUPAC name of 2-chloro-2-(2-hydroxyethoxy)propanal (CID 141321956) is 2-chloro-2-(2-hydroxyethoxy)propanal.
What is the SMILES notation for 2-chloro-2-(2-hydroxyethoxy)propanal?
The canonical SMILES for 2-chloro-2-(2-hydroxyethoxy)propanal is CC(Cl)(C=O)OCCO.
What is the InChIKey of 2-chloro-2-(2-hydroxyethoxy)propanal?
The InChIKey is QGCUAASEHQJSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO3/c1-5(6,4-8)9-3-2-7/h4,7H,2-3H2,1H3.
What are the key properties of 2-chloro-2-(2-hydroxyethoxy)propanal?
2-chloro-2-(2-hydroxyethoxy)propanal has a molecular weight of 152.58 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2-hydroxyethoxy)propanal is sourced from PubChem (CID 141321956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).