2-(3-iodophenyl)ethanol

C8H9IO — CID 15169850

IUPAC2-(3-iodophenyl)ethanol
SMILESOCCc1cccc(I)c1
InChIInChI=1S/C8H9IO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChIKeyXETGWOTWVPJOIP-UHFFFAOYSA-N
MW248.06 g/mol
LogP1.83
Rot. Bonds2

About 2-(3-iodophenyl)ethanol

2-(3-iodophenyl)ethanol (PubChem CID 15169850) has the molecular formula C8H9IO and a molecular weight of 248.06 g/mol. Its IUPAC name is 2-(3-iodophenyl)ethanol.

Molecular Properties

Compound Name2-(3-iodophenyl)ethanol
PubChem CID15169850
Molecular FormulaC8H9IO
Molecular Weight248.06 g/mol
Exact Mass247.97
IUPAC Name2-(3-iodophenyl)ethanol
SMILESOCCc1cccc(I)c1
InChIInChI=1S/C8H9IO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChIKeyXETGWOTWVPJOIP-UHFFFAOYSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.06
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-iodophenyl)ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)ethanol?
The IUPAC name of 2-(3-iodophenyl)ethanol (CID 15169850) is 2-(3-iodophenyl)ethanol.
What is the SMILES notation for 2-(3-iodophenyl)ethanol?
The canonical SMILES for 2-(3-iodophenyl)ethanol is OCCc1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenyl)ethanol?
The InChIKey is XETGWOTWVPJOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2.
What are the key properties of 2-(3-iodophenyl)ethanol?
2-(3-iodophenyl)ethanol has a molecular weight of 248.06 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)ethanol is sourced from PubChem (CID 15169850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).