(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium

C19H16I2O+2 — CID 10259813

IUPAC(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
SMILESCOc1ccc([I+]c2ccc([I+]c3ccccc3)cc2)cc1
InChIInChI=1S/C19H16I2O/c1-22-19-13-11-18(12-14-19)21-17-9-7-16(8-10-17)20-15-5-3-2-4-6-15/h2-14H,1H3/q+2
InChIKeyQFTZIEPKJNLWIY-UHFFFAOYSA-N
MW514.14 g/mol
LogP-2.05
Rot. Bonds5

About (4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium

(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium (PubChem CID 10259813) has the molecular formula C19H16I2O+2 and a molecular weight of 514.14 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
PubChem CID10259813
Molecular FormulaC19H16I2O+2
Molecular Weight514.14 g/mol
Exact Mass513.93
IUPAC Name(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
SMILESCOc1ccc([I+]c2ccc([I+]c3ccccc3)cc2)cc1
InChIInChI=1S/C19H16I2O/c1-22-19-13-11-18(12-14-19)21-17-9-7-16(8-10-17)20-15-5-3-2-4-6-15/h2-14H,1H3/q+2
InChIKeyQFTZIEPKJNLWIY-UHFFFAOYSA-N
XLogP-2.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.14
LogP ≤ 5-2.05
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)-phenyliodanium bromide
CID 11058256
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;hydrochloride
CID 158800007
diphenyliodanium;ethane;methane
CID 159636739

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium?
The IUPAC name of (4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium (CID 10259813) is (4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium.
What is the SMILES notation for (4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium?
The canonical SMILES for (4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium is COc1ccc([I+]c2ccc([I+]c3ccccc3)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium?
The InChIKey is QFTZIEPKJNLWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16I2O/c1-22-19-13-11-18(12-14-19)21-17-9-7-16(8-10-17)20-15-5-3-2-4-6-15/h2-14H,1H3/q+2.
What are the key properties of (4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium?
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium has a molecular weight of 514.14 g/mol, XLogP of -2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium is sourced from PubChem (CID 10259813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).