iodobenzene

C6H5I — CID 11575

IUPACiodobenzene
SMILESIc1ccccc1
InChIInChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
InChIKeySNHMUERNLJLMHN-UHFFFAOYSA-N
MW204.01 g/mol
LogP2.29
Rot. Bonds

About iodobenzene

iodobenzene (PubChem CID 11575) has the molecular formula C6H5I and a molecular weight of 204.01 g/mol. Its IUPAC name is iodobenzene.

Molecular Properties

Compound Nameiodobenzene
PubChem CID11575
Molecular FormulaC6H5I
Molecular Weight204.01 g/mol
Exact Mass203.94
IUPAC Nameiodobenzene
SMILESIc1ccccc1
InChIInChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
InChIKeySNHMUERNLJLMHN-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.01
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze iodobenzene with MolForge

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

Launch Full Analysis

Related Compounds

Benzene
CID 241
Phenylmercuric Chloride
CID 7511
Fluorobenzene
CID 10008
Phenyl phosphorus dichloride
CID 12573
1,3-Difluorobenzene
CID 9741
3-Iodotoluene
CID 12268
Iodosylbenzene
CID 92125
Benzene-D6
CID 71601
Phenylphosphine
CID 12519
Phenylmercuric hydroxide
CID 7512
1,4-Difluorobenzene
CID 10892
Benzeneselenol
CID 69530

Frequently Asked Questions

What is the IUPAC name of iodobenzene?
The IUPAC name of iodobenzene (CID 11575) is iodobenzene.
What is the SMILES notation for iodobenzene?
The canonical SMILES for iodobenzene is Ic1ccccc1.
What is the InChIKey of iodobenzene?
The InChIKey is SNHMUERNLJLMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H.
What are the key properties of iodobenzene?
iodobenzene has a molecular weight of 204.01 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodobenzene is sourced from PubChem (CID 11575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).