iodobenzene;methane

C7H9I — CID 161271441

IUPACiodobenzene;methane
SMILESC.Ic1ccccc1
InChIInChI=1S/C6H5I.CH4/c7-6-4-2-1-3-5-6;/h1-5H;1H4
InChIKeyVDWGZRCCBKACPF-UHFFFAOYSA-N
MW220.05 g/mol
LogP2.93
Rot. Bonds

About iodobenzene;methane

iodobenzene;methane (PubChem CID 161271441) has the molecular formula C7H9I and a molecular weight of 220.05 g/mol. Its IUPAC name is iodobenzene;methane.

Molecular Properties

Compound Nameiodobenzene;methane
PubChem CID161271441
Molecular FormulaC7H9I
Molecular Weight220.05 g/mol
Exact Mass219.97
IUPAC Nameiodobenzene;methane
SMILESC.Ic1ccccc1
InChIInChI=1S/C6H5I.CH4/c7-6-4-2-1-3-5-6;/h1-5H;1H4
InChIKeyVDWGZRCCBKACPF-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.05
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze iodobenzene;methane 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 iodobenzene;methane?
The IUPAC name of iodobenzene;methane (CID 161271441) is iodobenzene;methane.
What is the SMILES notation for iodobenzene;methane?
The canonical SMILES for iodobenzene;methane is C.Ic1ccccc1.
What is the InChIKey of iodobenzene;methane?
The InChIKey is VDWGZRCCBKACPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5I.CH4/c7-6-4-2-1-3-5-6;/h1-5H;1H4.
What are the key properties of iodobenzene;methane?
iodobenzene;methane has a molecular weight of 220.05 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodobenzene;methane is sourced from PubChem (CID 161271441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).