2-(2-iodoethoxy)ethanol

C4H9IO2 — CID 14765037

About 2-(2-iodoethoxy)ethanol

2-(2-iodoethoxy)ethanol (PubChem CID 14765037) has the molecular formula C4H9IO2 and a molecular weight of 216.02 g/mol. Its IUPAC name is 2-(2-iodoethoxy)ethanol.

Molecular Properties

• Compound Name: 2-(2-iodoethoxy)ethanol
• PubChem CID: 14765037
• Molecular Formula: C4H9IO2
• Molecular Weight: 216.02 g/mol
• Exact Mass: 215.96
• IUPAC Name: 2-(2-iodoethoxy)ethanol
• SMILES: OCCOCCI
• InChI: InChI=1S/C4H9IO2/c5-1-3-7-4-2-6/h6H,1-4H2
• InChIKey: FJXHFMCXXSYPIE-UHFFFAOYSA-N
• XLogP: 0.43
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	216.02
LogP ≤ 5	0.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoethoxy)ethanol?

The IUPAC name of 2-(2-iodoethoxy)ethanol (CID 14765037) is 2-(2-iodoethoxy)ethanol.

What is the SMILES notation for 2-(2-iodoethoxy)ethanol?

The canonical SMILES for 2-(2-iodoethoxy)ethanol is OCCOCCI.

What is the InChIKey of 2-(2-iodoethoxy)ethanol?

The InChIKey is FJXHFMCXXSYPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IO2/c5-1-3-7-4-2-6/h6H,1-4H2.

What are the key properties of 2-(2-iodoethoxy)ethanol?

2-(2-iodoethoxy)ethanol has a molecular weight of 216.02 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-iodoethoxy)ethanol is sourced from PubChem (CID 14765037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).