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

C₅H₉ClO₃ — CID 141321956

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 Name: 2-chloro-2-(2-hydroxyethoxy)propanal
• PubChem CID: 141321956
• Molecular Formula: C₅H₉ClO₃
• Molecular Weight: 152.58 g/mol
• Exact Mass: 152.02
• IUPAC Name: 2-chloro-2-(2-hydroxyethoxy)propanal
• SMILES: CC(Cl)(C=O)OCCO
• InChI: InChI=1S/C5H9ClO3/c1-5(6,4-8)9-3-2-7/h4,7H,2-3H2,1H3
• InChIKey: QGCUAASEHQJSRJ-UHFFFAOYSA-N
• XLogP: 0.15
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	152.58
LogP ≤ 5	0.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).

Sources

• PubChem CID 141321956 — identifiers, structure, computed properties (public domain)

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