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

C16H18IO+ — CID 73293132

IUPAC(3-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium
SMILESCOc1cccc([I+]c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C16H18IO/c1-11-8-12(2)16(13(3)9-11)17-14-6-5-7-15(10-14)18-4/h5-10H,1-4H3/q+1
InChIKeyNNQUWLQXYQMONO-UHFFFAOYSA-N
MW353.22 g/mol
LogP0.75
Rot. Bonds3

About (3-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium

(3-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium (PubChem CID 73293132) has the molecular formula C16H18IO+ and a molecular weight of 353.22 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium
PubChem CID73293132
Molecular FormulaC16H18IO+
Molecular Weight353.22 g/mol
Exact Mass353.04
IUPAC Name(3-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium
SMILESCOc1cccc([I+]c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C16H18IO/c1-11-8-12(2)16(13(3)9-11)17-14-6-5-7-15(10-14)18-4/h5-10H,1-4H3/q+1
InChIKeyNNQUWLQXYQMONO-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

(4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium
CID 10766616
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
CID 66916575
(3-methoxyphenyl)-phenyliodanium;4-methylbenzenesulfonate
CID 10528781
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
bis(3-methoxyphenyl)iodanium;trifluoromethanesulfonate
CID 175669103
hydroxy-(3-methoxyphenyl)iodanium;4-methylbenzenesulfonate
CID 160869400
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383
1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene
CID 101067794
(2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium
CID 157385548
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium?
The IUPAC name of (3-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium (CID 73293132) is (3-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium.
What is the SMILES notation for (3-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium?
The canonical SMILES for (3-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium is COc1cccc([I+]c2c(C)cc(C)cc2C)c1.
What is the InChIKey of (3-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium?
The InChIKey is NNQUWLQXYQMONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IO/c1-11-8-12(2)16(13(3)9-11)17-14-6-5-7-15(10-14)18-4/h5-10H,1-4H3/q+1.
What are the key properties of (3-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium?
(3-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 (3-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium is sourced from PubChem (CID 73293132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).