bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride

C28H28F2I2O4 — CID 173065758

IUPACbis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride
SMILESCOc1ccc([I+]c2ccccc2OC)cc1.COc1ccc([I+]c2ccccc2OC)cc1.[F-].[F-]
InChIInChI=1S/2C14H14IO2.2FH/c2*1-16-12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)17-2;;/h2*3-10H,1-2H3;2*1H/q2*+1;;/p-2
InChIKeyITFMCEQYOLTZIH-UHFFFAOYSA-L
MW720.33 g/mol
LogP-6.33
Rot. Bonds8

About bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride

bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride (PubChem CID 173065758) has the molecular formula C28H28F2I2O4 and a molecular weight of 720.33 g/mol. Its IUPAC name is bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride.

Molecular Properties

Compound Namebis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride
PubChem CID173065758
Molecular FormulaC28H28F2I2O4
Molecular Weight720.33 g/mol
Exact Mass720.00
IUPAC Namebis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride
SMILESCOc1ccc([I+]c2ccccc2OC)cc1.COc1ccc([I+]c2ccccc2OC)cc1.[F-].[F-]
InChIInChI=1S/2C14H14IO2.2FH/c2*1-16-12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)17-2;;/h2*3-10H,1-2H3;2*1H/q2*+1;;/p-2
InChIKeyITFMCEQYOLTZIH-UHFFFAOYSA-L
XLogP-6.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500720.33
LogP ≤ 5-6.33
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

(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
bis(4-methoxyphenyl)iodanium;hydrobromide
CID 54610326
(4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium
CID 122206249
CID 173148685
CID 173148685
octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)
CID 173216110
(4-methoxyphenyl)-(3-phenyliodonio-2-bicyclo[2.2.1]hepta-2,5-dienyl)iodanium
CID 157388486
(4-methoxyphenyl)-pyridin-3-yliodanium
CID 24871781
(4-methoxyphenyl)-(2-phenylethenyl)iodanium
CID 88650705
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153

Frequently Asked Questions

What is the IUPAC name of bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride?
The IUPAC name of bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride (CID 173065758) is bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride.
What is the SMILES notation for bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride?
The canonical SMILES for bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride is COc1ccc([I+]c2ccccc2OC)cc1.COc1ccc([I+]c2ccccc2OC)cc1.[F-].[F-].
What is the InChIKey of bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride?
The InChIKey is ITFMCEQYOLTZIH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H14IO2.2FH/c2*1-16-12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)17-2;;/h2*3-10H,1-2H3;2*1H/q2*+1;;/p-2.
What are the key properties of bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride?
bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride has a molecular weight of 720.33 g/mol, XLogP of -6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride is sourced from PubChem (CID 173065758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).