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

C16H18IO4+ — CID 122206249

IUPAC(4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium
SMILESCOc1ccc([I+]c2c(OC)cc(OC)cc2OC)cc1
InChIInChI=1S/C16H18IO4/c1-18-12-7-5-11(6-8-12)17-16-14(20-3)9-13(19-2)10-15(16)21-4/h5-10H,1-4H3/q+1
InChIKeyXFXIBBOZXLGOOR-UHFFFAOYSA-N
MW401.22 g/mol
LogP-0.15
Rot. Bonds6

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

(4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium (PubChem CID 122206249) has the molecular formula C16H18IO4+ and a molecular weight of 401.22 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium
PubChem CID122206249
Molecular FormulaC16H18IO4+
Molecular Weight401.22 g/mol
Exact Mass401.02
IUPAC Name(4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium
SMILESCOc1ccc([I+]c2c(OC)cc(OC)cc2OC)cc1
InChIInChI=1S/C16H18IO4/c1-18-12-7-5-11(6-8-12)17-16-14(20-3)9-13(19-2)10-15(16)21-4/h5-10H,1-4H3/q+1
InChIKeyXFXIBBOZXLGOOR-UHFFFAOYSA-N
XLogP-0.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium
CID 157385548
bis(4-methoxyphenyl)iodanium;hydrobromide
CID 54610326
(4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium
CID 10766616
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
(4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium
CID 102410678
bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride
CID 173065758
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)
CID 173216110
1,3,7-trimethoxynaphthalene
CID 102088907
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153
1,3-dimethoxy-5-(2-methoxyphenoxy)benzene
CID 14020528
bis[4-methoxy-3-[(4-methoxyphenyl)methyl]phenyl]iodanium bromide
CID 19990827

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium?
The IUPAC name of (4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium (CID 122206249) is (4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium.
What is the SMILES notation for (4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium?
The canonical SMILES for (4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium is COc1ccc([I+]c2c(OC)cc(OC)cc2OC)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium?
The InChIKey is XFXIBBOZXLGOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IO4/c1-18-12-7-5-11(6-8-12)17-16-14(20-3)9-13(19-2)10-15(16)21-4/h5-10H,1-4H3/q+1.
What are the key properties of (4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium?
(4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium has a molecular weight of 401.22 g/mol, XLogP of -0.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium is sourced from PubChem (CID 122206249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).