bis(4-methoxyphenyl)iodanium;hydrobromide

C14H15BrIO2+ — CID 54610326

IUPACbis(4-methoxyphenyl)iodanium;hydrobromide
SMILESBr.COc1ccc([I+]c2ccc(OC)cc2)cc1
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;
InChIKeyYDSNSDXMWRVLLI-UHFFFAOYSA-N
MW422.08 g/mol
LogP0.41
Rot. Bonds4

About bis(4-methoxyphenyl)iodanium;hydrobromide

bis(4-methoxyphenyl)iodanium;hydrobromide (PubChem CID 54610326) has the molecular formula C14H15BrIO2+ and a molecular weight of 422.08 g/mol. Its IUPAC name is bis(4-methoxyphenyl)iodanium;hydrobromide.

Molecular Properties

Compound Namebis(4-methoxyphenyl)iodanium;hydrobromide
PubChem CID54610326
Molecular FormulaC14H15BrIO2+
Molecular Weight422.08 g/mol
Exact Mass420.93
IUPAC Namebis(4-methoxyphenyl)iodanium;hydrobromide
SMILESBr.COc1ccc([I+]c2ccc(OC)cc2)cc1
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;
InChIKeyYDSNSDXMWRVLLI-UHFFFAOYSA-N
XLogP0.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.08
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)
CID 173216110
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153
(4-methoxyphenyl)-pyridin-3-yliodanium
CID 24871781
CID 173148685
CID 173148685
(4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium
CID 122206249
[6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium
CID 71814531
(4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium
CID 10766616
bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride
CID 173065758
CID 154175564
CID 154175564
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenyl)iodanium;hydrobromide?
The IUPAC name of bis(4-methoxyphenyl)iodanium;hydrobromide (CID 54610326) is bis(4-methoxyphenyl)iodanium;hydrobromide.
What is the SMILES notation for bis(4-methoxyphenyl)iodanium;hydrobromide?
The canonical SMILES for bis(4-methoxyphenyl)iodanium;hydrobromide is Br.COc1ccc([I+]c2ccc(OC)cc2)cc1.
What is the InChIKey of bis(4-methoxyphenyl)iodanium;hydrobromide?
The InChIKey is YDSNSDXMWRVLLI-UHFFFAOYSA-N. 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;.
What are the key properties of bis(4-methoxyphenyl)iodanium;hydrobromide?
bis(4-methoxyphenyl)iodanium;hydrobromide has a molecular weight of 422.08 g/mol, XLogP of 0.41, 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;hydrobromide is sourced from PubChem (CID 54610326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).