2-(2,3-diiodophenyl)ethanol

C₈H₈I₂O — CID 155025803

About 2-(2,3-diiodophenyl)ethanol

2-(2,3-diiodophenyl)ethanol (PubChem CID 155025803) has the molecular formula C₈H₈I₂O and a molecular weight of 373.96 g/mol. Its IUPAC name is 2-(2,3-diiodophenyl)ethanol.

Molecular Properties

• Compound Name: 2-(2,3-diiodophenyl)ethanol
• PubChem CID: 155025803
• Molecular Formula: C₈H₈I₂O
• Molecular Weight: 373.96 g/mol
• Exact Mass: 373.87
• IUPAC Name: 2-(2,3-diiodophenyl)ethanol
• SMILES: OCCc1cccc(I)c1I
• InChI: InChI=1S/C8H8I2O/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,11H,4-5H2
• InChIKey: ULLMYSDTRGRRDP-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.96
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diiodophenyl)ethanol?

The IUPAC name of 2-(2,3-diiodophenyl)ethanol (CID 155025803) is 2-(2,3-diiodophenyl)ethanol.

What is the SMILES notation for 2-(2,3-diiodophenyl)ethanol?

The canonical SMILES for 2-(2,3-diiodophenyl)ethanol is OCCc1cccc(I)c1I.

What is the InChIKey of 2-(2,3-diiodophenyl)ethanol?

The InChIKey is ULLMYSDTRGRRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8I2O/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,11H,4-5H2.

What are the key properties of 2-(2,3-diiodophenyl)ethanol?

2-(2,3-diiodophenyl)ethanol has a molecular weight of 373.96 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-diiodophenyl)ethanol is sourced from PubChem (CID 155025803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155025803 — identifiers, structure, computed properties (public domain)

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