bis(2-chloro-6-methylphenyl)iodanium chloride

C14H12Cl3I — CID 172712276

IUPACbis(2-chloro-6-methylphenyl)iodanium chloride
SMILESCc1cccc(Cl)c1[I+]c1c(C)cccc1Cl.[Cl-]
InChIInChI=1S/C14H12Cl2I.ClH/c1-9-5-3-7-11(15)13(9)17-14-10(2)6-4-8-12(14)16;/h3-8H,1-2H3;1H/q+1;/p-1
InChIKeyFKEBASPTYPWSQA-UHFFFAOYSA-M
MW413.51 g/mol
LogP-1.26
Rot. Bonds2

About bis(2-chloro-6-methylphenyl)iodanium chloride

bis(2-chloro-6-methylphenyl)iodanium chloride (PubChem CID 172712276) has the molecular formula C14H12Cl3I and a molecular weight of 413.51 g/mol. Its IUPAC name is bis(2-chloro-6-methylphenyl)iodanium chloride.

Molecular Properties

Compound Namebis(2-chloro-6-methylphenyl)iodanium chloride
PubChem CID172712276
Molecular FormulaC14H12Cl3I
Molecular Weight413.51 g/mol
Exact Mass411.90
IUPAC Namebis(2-chloro-6-methylphenyl)iodanium chloride
SMILESCc1cccc(Cl)c1[I+]c1c(C)cccc1Cl.[Cl-]
InChIInChI=1S/C14H12Cl2I.ClH/c1-9-5-3-7-11(15)13(9)17-14-10(2)6-4-8-12(14)16;/h3-8H,1-2H3;1H/q+1;/p-1
InChIKeyFKEBASPTYPWSQA-UHFFFAOYSA-M
XLogP-1.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(2-chloro-6-methylphenyl)iodanium chloride 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 bis(2-chloro-6-methylphenyl)iodanium chloride?
The IUPAC name of bis(2-chloro-6-methylphenyl)iodanium chloride (CID 172712276) is bis(2-chloro-6-methylphenyl)iodanium chloride.
What is the SMILES notation for bis(2-chloro-6-methylphenyl)iodanium chloride?
The canonical SMILES for bis(2-chloro-6-methylphenyl)iodanium chloride is Cc1cccc(Cl)c1[I+]c1c(C)cccc1Cl.[Cl-].
What is the InChIKey of bis(2-chloro-6-methylphenyl)iodanium chloride?
The InChIKey is FKEBASPTYPWSQA-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12Cl2I.ClH/c1-9-5-3-7-11(15)13(9)17-14-10(2)6-4-8-12(14)16;/h3-8H,1-2H3;1H/q+1;/p-1.
What are the key properties of bis(2-chloro-6-methylphenyl)iodanium chloride?
bis(2-chloro-6-methylphenyl)iodanium chloride has a molecular weight of 413.51 g/mol, XLogP of -1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloro-6-methylphenyl)iodanium chloride is sourced from PubChem (CID 172712276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).