bis(4-methoxyphenyl)iodanium bromide

C14H14BrIO2 — CID 3015049

IUPACbis(4-methoxyphenyl)iodanium bromide
SMILESCOc1ccc([I+]c2ccc(OC)cc2)cc1.[Br-]
InChIInChI=1S/C14H14IO2.BrH/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;/h3-10H,1-2H3;1H/q+1;/p-1
InChIKeyYDSNSDXMWRVLLI-UHFFFAOYSA-M
MW421.07 g/mol
LogP-3.16
Rot. Bonds4

About bis(4-methoxyphenyl)iodanium bromide

bis(4-methoxyphenyl)iodanium bromide (PubChem CID 3015049) has the molecular formula C14H14BrIO2 and a molecular weight of 421.07 g/mol. Its IUPAC name is bis(4-methoxyphenyl)iodanium bromide.

Molecular Properties

Compound Namebis(4-methoxyphenyl)iodanium bromide
PubChem CID3015049
Molecular FormulaC14H14BrIO2
Molecular Weight421.07 g/mol
Exact Mass419.92
IUPAC Namebis(4-methoxyphenyl)iodanium bromide
SMILESCOc1ccc([I+]c2ccc(OC)cc2)cc1.[Br-]
InChIInChI=1S/C14H14IO2.BrH/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;/h3-10H,1-2H3;1H/q+1;/p-1
InChIKeyYDSNSDXMWRVLLI-UHFFFAOYSA-M
XLogP-3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.07
LogP ≤ 5-3.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenyl)iodanium bromide?
The IUPAC name of bis(4-methoxyphenyl)iodanium bromide (CID 3015049) is bis(4-methoxyphenyl)iodanium bromide.
What is the SMILES notation for bis(4-methoxyphenyl)iodanium bromide?
The canonical SMILES for bis(4-methoxyphenyl)iodanium bromide is COc1ccc([I+]c2ccc(OC)cc2)cc1.[Br-].
What is the InChIKey of bis(4-methoxyphenyl)iodanium bromide?
The InChIKey is YDSNSDXMWRVLLI-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14IO2.BrH/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;/h3-10H,1-2H3;1H/q+1;/p-1.
What are the key properties of bis(4-methoxyphenyl)iodanium bromide?
bis(4-methoxyphenyl)iodanium bromide has a molecular weight of 421.07 g/mol, XLogP of -3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxyphenyl)iodanium bromide is sourced from PubChem (CID 3015049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).