(4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium

C16H18IO+ — CID 10766616

IUPAC(4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium
SMILESCOc1ccc([I+]c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C16H18IO/c1-11-9-12(2)16(13(3)10-11)17-14-5-7-15(18-4)8-6-14/h5-10H,1-4H3/q+1
InChIKeyBFCBWHOCYPIVHV-UHFFFAOYSA-N
MW353.22 g/mol
LogP0.75
Rot. Bonds3

About (4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium

(4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium (PubChem CID 10766616) has the molecular formula C16H18IO+ and a molecular weight of 353.22 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium
PubChem CID10766616
Molecular FormulaC16H18IO+
Molecular Weight353.22 g/mol
Exact Mass353.04
IUPAC Name(4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium
SMILESCOc1ccc([I+]c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C16H18IO/c1-11-9-12(2)16(13(3)10-11)17-14-5-7-15(18-4)8-6-14/h5-10H,1-4H3/q+1
InChIKeyBFCBWHOCYPIVHV-UHFFFAOYSA-N
XLogP0.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium
CID 73293132
(2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium
CID 157385548
(4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium
CID 122206249
bis(4-methoxyphenyl)iodanium;hydrobromide
CID 54610326
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
(4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium
CID 102410678
2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 69464209
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-(113C)methoxy-4-methylbenzene
CID 166176950
octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)
CID 173216110
2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene
CID 13052775

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium?
The IUPAC name of (4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium (CID 10766616) is (4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium.
What is the SMILES notation for (4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium?
The canonical SMILES for (4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium is COc1ccc([I+]c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium?
The InChIKey is BFCBWHOCYPIVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IO/c1-11-9-12(2)16(13(3)10-11)17-14-5-7-15(18-4)8-6-14/h5-10H,1-4H3/q+1.
What are the key properties of (4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium?
(4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium has a molecular weight of 353.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium is sourced from PubChem (CID 10766616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).