bis(4-methoxyphenyl)iodanium

C14H14IO2+ — CID 3015050

IUPACbis(4-methoxyphenyl)iodanium
SMILESCOc1ccc([I+]c2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14IO2/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h3-10H,1-2H3/q+1
InChIKeyDWBJZABVMXQFPV-UHFFFAOYSA-N
MW341.17 g/mol
LogP-0.17
Rot. Bonds4

About bis(4-methoxyphenyl)iodanium

bis(4-methoxyphenyl)iodanium (PubChem CID 3015050) has the molecular formula C14H14IO2+ and a molecular weight of 341.17 g/mol. Its IUPAC name is bis(4-methoxyphenyl)iodanium.

Molecular Properties

Compound Namebis(4-methoxyphenyl)iodanium
PubChem CID3015050
Molecular FormulaC14H14IO2+
Molecular Weight341.17 g/mol
Exact Mass341.00
IUPAC Namebis(4-methoxyphenyl)iodanium
SMILESCOc1ccc([I+]c2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14IO2/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h3-10H,1-2H3/q+1
InChIKeyDWBJZABVMXQFPV-UHFFFAOYSA-N
XLogP-0.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 5-0.17
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?
The IUPAC name of bis(4-methoxyphenyl)iodanium (CID 3015050) is bis(4-methoxyphenyl)iodanium.
What is the SMILES notation for bis(4-methoxyphenyl)iodanium?
The canonical SMILES for bis(4-methoxyphenyl)iodanium is COc1ccc([I+]c2ccc(OC)cc2)cc1.
What is the InChIKey of bis(4-methoxyphenyl)iodanium?
The InChIKey is DWBJZABVMXQFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IO2/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h3-10H,1-2H3/q+1.
What are the key properties of bis(4-methoxyphenyl)iodanium?
bis(4-methoxyphenyl)iodanium has a molecular weight of 341.17 g/mol, XLogP of -0.17, 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 is sourced from PubChem (CID 3015050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).