chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane

C16H18ClI — CID 12995384

IUPACchloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane
SMILESCc1ccc(I(Cl)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C16H18ClI/c1-12(2)14-6-10-16(11-7-14)18(17)15-8-4-13(3)5-9-15/h4-12H,1-3H3
InChIKeyZBCXNBUCWMDZAJ-UHFFFAOYSA-N
MW372.68 g/mol
LogP5.82
Rot. Bonds3

About chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane

chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane (PubChem CID 12995384) has the molecular formula C16H18ClI and a molecular weight of 372.68 g/mol. Its IUPAC name is chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane.

Molecular Properties

Compound Namechloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane
PubChem CID12995384
Molecular FormulaC16H18ClI
Molecular Weight372.68 g/mol
Exact Mass372.01
IUPAC Namechloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane
SMILESCc1ccc(I(Cl)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C16H18ClI/c1-12(2)14-6-10-16(11-7-14)18(17)15-8-4-13(3)5-9-15/h4-12H,1-3H3
InChIKeyZBCXNBUCWMDZAJ-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.68
LogP ≤ 55.82
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

tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
bis(dichloroosmium);bis(1-methyl-4-propan-2-ylbenzene)
CID 10952856
bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
CID 11319478
dichlororuthenium;1-methyl-4-propan-2-ylbenzene
CID 11141294
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
bromo-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane
CID 170693012
ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene
CID 163240911
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
formic acid;1-methyl-4-propan-2-ylbenzene
CID 145124547
1-(2-chloroethyl)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 159659328

Frequently Asked Questions

What is the IUPAC name of chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane?
The IUPAC name of chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane (CID 12995384) is chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane.
What is the SMILES notation for chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane?
The canonical SMILES for chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane is Cc1ccc(I(Cl)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane?
The InChIKey is ZBCXNBUCWMDZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClI/c1-12(2)14-6-10-16(11-7-14)18(17)15-8-4-13(3)5-9-15/h4-12H,1-3H3.
What are the key properties of chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane?
chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane has a molecular weight of 372.68 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane is sourced from PubChem (CID 12995384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).