(4-methoxyphenyl)-phenyliodanium bromide

C13H12BrIO — CID 11058256

IUPAC(4-methoxyphenyl)-phenyliodanium bromide
SMILESCOc1ccc([I+]c2ccccc2)cc1.[Br-]
InChIInChI=1S/C13H12IO.BrH/c1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1
InChIKeySCVWUEGPCIFJJM-UHFFFAOYSA-M
MW391.05 g/mol
LogP-3.17
Rot. Bonds3

About (4-methoxyphenyl)-phenyliodanium bromide

(4-methoxyphenyl)-phenyliodanium bromide (PubChem CID 11058256) has the molecular formula C13H12BrIO and a molecular weight of 391.05 g/mol. Its IUPAC name is (4-methoxyphenyl)-phenyliodanium bromide.

Molecular Properties

Compound Name(4-methoxyphenyl)-phenyliodanium bromide
PubChem CID11058256
Molecular FormulaC13H12BrIO
Molecular Weight391.05 g/mol
Exact Mass389.91
IUPAC Name(4-methoxyphenyl)-phenyliodanium bromide
SMILESCOc1ccc([I+]c2ccccc2)cc1.[Br-]
InChIInChI=1S/C13H12IO.BrH/c1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1
InChIKeySCVWUEGPCIFJJM-UHFFFAOYSA-M
XLogP-3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.05
LogP ≤ 5-3.17
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)-(4-phenyliodoniophenyl)iodanium
CID 10259813
bis(4-methoxyphenyl)iodanium;hydrobromide
CID 54610326
CID 173148685
CID 173148685
(4-methoxyphenyl)-(3-phenyliodonio-2-bicyclo[2.2.1]hepta-2,5-dienyl)iodanium
CID 157388486
(4-methoxyphenyl)-pyridin-3-yliodanium
CID 24871781
octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)
CID 173216110
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride
CID 173065758
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-phenyliodanium bromide?
The IUPAC name of (4-methoxyphenyl)-phenyliodanium bromide (CID 11058256) is (4-methoxyphenyl)-phenyliodanium bromide.
What is the SMILES notation for (4-methoxyphenyl)-phenyliodanium bromide?
The canonical SMILES for (4-methoxyphenyl)-phenyliodanium bromide is COc1ccc([I+]c2ccccc2)cc1.[Br-].
What is the InChIKey of (4-methoxyphenyl)-phenyliodanium bromide?
The InChIKey is SCVWUEGPCIFJJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12IO.BrH/c1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1.
What are the key properties of (4-methoxyphenyl)-phenyliodanium bromide?
(4-methoxyphenyl)-phenyliodanium bromide has a molecular weight of 391.05 g/mol, XLogP of -3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-phenyliodanium bromide is sourced from PubChem (CID 11058256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).