methane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium

C17H22I+ — CID 160535217

IUPACmethane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium
SMILESC.Cc1ccc([I+]c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C16H18I.CH4/c1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;/h4-12H,1-3H3;1H4/q+1;
InChIKeyQWBINKPEORUNLE-UHFFFAOYSA-N
MW353.27 g/mol
LogP1.88
Rot. Bonds3

About methane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium

methane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium (PubChem CID 160535217) has the molecular formula C17H22I+ and a molecular weight of 353.27 g/mol. Its IUPAC name is methane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium.

Molecular Properties

Compound Namemethane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium
PubChem CID160535217
Molecular FormulaC17H22I+
Molecular Weight353.27 g/mol
Exact Mass353.08
IUPAC Namemethane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium
SMILESC.Cc1ccc([I+]c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C16H18I.CH4/c1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;/h4-12H,1-3H3;1H4/q+1;
InChIKeyQWBINKPEORUNLE-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride
CID 71349867
(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene
CID 159687848
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
bis(4-methylphenyl)iodanium
CID 158665540
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
CID 11319478
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

Frequently Asked Questions

What is the IUPAC name of methane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium?
The IUPAC name of methane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium (CID 160535217) is methane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium.
What is the SMILES notation for methane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium?
The canonical SMILES for methane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium is C.Cc1ccc([I+]c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of methane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium?
The InChIKey is QWBINKPEORUNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18I.CH4/c1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;/h4-12H,1-3H3;1H4/q+1;.
What are the key properties of methane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium?
methane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium has a molecular weight of 353.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium is sourced from PubChem (CID 160535217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).