ethanol;iodomethane

C3H9IO — CID 159089144

IUPACethanol;iodomethane
SMILESCCO.CI
InChIInChI=1S/C2H6O.CH3I/c1-2-3;1-2/h3H,2H2,1H3;1H3
InChIKeyKBVGZIFNIBCBKH-UHFFFAOYSA-N
MW188.01 g/mol
LogP1.05
Rot. Bonds

About ethanol;iodomethane

ethanol;iodomethane (PubChem CID 159089144) has the molecular formula C3H9IO and a molecular weight of 188.01 g/mol. Its IUPAC name is ethanol;iodomethane.

Molecular Properties

Compound Nameethanol;iodomethane
PubChem CID159089144
Molecular FormulaC3H9IO
Molecular Weight188.01 g/mol
Exact Mass187.97
IUPAC Nameethanol;iodomethane
SMILESCCO.CI
InChIInChI=1S/C2H6O.CH3I/c1-2-3;1-2/h3H,2H2,1H3;1H3
InChIKeyKBVGZIFNIBCBKH-UHFFFAOYSA-N
XLogP1.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.01
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethanol;iodomethane 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 ethanol;iodomethane?
The IUPAC name of ethanol;iodomethane (CID 159089144) is ethanol;iodomethane.
What is the SMILES notation for ethanol;iodomethane?
The canonical SMILES for ethanol;iodomethane is CCO.CI.
What is the InChIKey of ethanol;iodomethane?
The InChIKey is KBVGZIFNIBCBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.CH3I/c1-2-3;1-2/h3H,2H2,1H3;1H3.
What are the key properties of ethanol;iodomethane?
ethanol;iodomethane has a molecular weight of 188.01 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;iodomethane is sourced from PubChem (CID 159089144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).