5-ethyl-2-iodophenol

C8H9IO — CID 22996199

IUPAC5-ethyl-2-iodophenol
SMILESCCc1ccc(I)c(O)c1
InChIInChI=1S/C8H9IO/c1-2-6-3-4-7(9)8(10)5-6/h3-5,10H,2H2,1H3
InChIKeyYZGKKAKCVYCTGL-UHFFFAOYSA-N
MW248.06 g/mol
LogP2.56
Rot. Bonds1

About 5-ethyl-2-iodophenol

5-ethyl-2-iodophenol (PubChem CID 22996199) has the molecular formula C8H9IO and a molecular weight of 248.06 g/mol. Its IUPAC name is 5-ethyl-2-iodophenol.

Molecular Properties

Compound Name5-ethyl-2-iodophenol
PubChem CID22996199
Molecular FormulaC8H9IO
Molecular Weight248.06 g/mol
Exact Mass247.97
IUPAC Name5-ethyl-2-iodophenol
SMILESCCc1ccc(I)c(O)c1
InChIInChI=1S/C8H9IO/c1-2-6-3-4-7(9)8(10)5-6/h3-5,10H,2H2,1H3
InChIKeyYZGKKAKCVYCTGL-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.06
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethyl-2-iodophenol 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 5-ethyl-2-iodophenol?
The IUPAC name of 5-ethyl-2-iodophenol (CID 22996199) is 5-ethyl-2-iodophenol.
What is the SMILES notation for 5-ethyl-2-iodophenol?
The canonical SMILES for 5-ethyl-2-iodophenol is CCc1ccc(I)c(O)c1.
What is the InChIKey of 5-ethyl-2-iodophenol?
The InChIKey is YZGKKAKCVYCTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO/c1-2-6-3-4-7(9)8(10)5-6/h3-5,10H,2H2,1H3.
What are the key properties of 5-ethyl-2-iodophenol?
5-ethyl-2-iodophenol has a molecular weight of 248.06 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-iodophenol is sourced from PubChem (CID 22996199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).