(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride

C16H18ClI — CID 71349867

IUPAC(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride
SMILESCc1ccc([I+]c2ccc(C(C)C)cc2)cc1.[Cl-]
InChIInChI=1S/C16H18I.ClH/c1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;/h4-12H,1-3H3;1H/q+1;/p-1
InChIKeySBNUZKZHHCNPCN-UHFFFAOYSA-M
MW372.68 g/mol
LogP-1.75
Rot. Bonds3

About (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride

(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride (PubChem CID 71349867) has the molecular formula C16H18ClI and a molecular weight of 372.68 g/mol. Its IUPAC name is (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride.

Molecular Properties

Compound Name(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride
PubChem CID71349867
Molecular FormulaC16H18ClI
Molecular Weight372.68 g/mol
Exact Mass372.01
IUPAC Name(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride
SMILESCc1ccc([I+]c2ccc(C(C)C)cc2)cc1.[Cl-]
InChIInChI=1S/C16H18I.ClH/c1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;/h4-12H,1-3H3;1H/q+1;/p-1
InChIKeySBNUZKZHHCNPCN-UHFFFAOYSA-M
XLogP-1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.68
LogP ≤ 5-1.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4-methylphenyl)-(4-propan-2-ylphenyl)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

Related Compounds

methane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium
CID 160535217
(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene
CID 159687848
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
bis(4-methylphenyl)iodanium
CID 158665540
bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
CID 11319478
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
bis(dichloroosmium);bis(1-methyl-4-propan-2-ylbenzene)
CID 10952856
dichlororuthenium;1-methyl-4-propan-2-ylbenzene
CID 11141294
ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene
CID 163240911
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride?
The IUPAC name of (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride (CID 71349867) is (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride.
What is the SMILES notation for (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride?
The canonical SMILES for (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride is Cc1ccc([I+]c2ccc(C(C)C)cc2)cc1.[Cl-].
What is the InChIKey of (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride?
The InChIKey is SBNUZKZHHCNPCN-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H18I.ClH/c1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;/h4-12H,1-3H3;1H/q+1;/p-1.
What are the key properties of (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride?
(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride has a molecular weight of 372.68 g/mol, XLogP of -1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride is sourced from PubChem (CID 71349867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).