cyclohexyl(phenyl)iodanium

C12H16I+ — CID 87308360

IUPACcyclohexyl(phenyl)iodanium
SMILESc1ccc([I+]C2CCCCC2)cc1
InChIInChI=1S/C12H16I/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2/q+1
InChIKeyZXYZOZWLSBSTAU-UHFFFAOYSA-N
MW287.16 g/mol
LogP0.28
Rot. Bonds2

About cyclohexyl(phenyl)iodanium

cyclohexyl(phenyl)iodanium (PubChem CID 87308360) has the molecular formula C12H16I+ and a molecular weight of 287.16 g/mol. Its IUPAC name is cyclohexyl(phenyl)iodanium.

Molecular Properties

Compound Namecyclohexyl(phenyl)iodanium
PubChem CID87308360
Molecular FormulaC12H16I+
Molecular Weight287.16 g/mol
Exact Mass287.03
IUPAC Namecyclohexyl(phenyl)iodanium
SMILESc1ccc([I+]C2CCCCC2)cc1
InChIInChI=1S/C12H16I/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2/q+1
InChIKeyZXYZOZWLSBSTAU-UHFFFAOYSA-N
XLogP0.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 159076923
CID 159076923
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
cyclopentylbenzene;iron
CID 158512704
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 140505234
1-bromo-2-phenylcycloheptane
CID 63510810
(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 102238187
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
(2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide
CID 129385009
acetonitrile;cyclohexylbenzene
CID 141289539
benzene;cyclopropylbenzene
CID 144638417
1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene
CID 168854089

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(phenyl)iodanium?
The IUPAC name of cyclohexyl(phenyl)iodanium (CID 87308360) is cyclohexyl(phenyl)iodanium.
What is the SMILES notation for cyclohexyl(phenyl)iodanium?
The canonical SMILES for cyclohexyl(phenyl)iodanium is c1ccc([I+]C2CCCCC2)cc1.
What is the InChIKey of cyclohexyl(phenyl)iodanium?
The InChIKey is ZXYZOZWLSBSTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16I/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2/q+1.
What are the key properties of cyclohexyl(phenyl)iodanium?
cyclohexyl(phenyl)iodanium has a molecular weight of 287.16 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(phenyl)iodanium is sourced from PubChem (CID 87308360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).