(4-octylphenyl)-phenyliodanium

C20H26I+ — CID 16696664

IUPAC(4-octylphenyl)-phenyliodanium
SMILESCCCCCCCCc1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C20H26I/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)21-19-12-9-7-10-13-19/h7,9-10,12-17H,2-6,8,11H2,1H3/q+1
InChIKeyJDUYLCRBJMMFCT-UHFFFAOYSA-N
MW393.33 g/mol
LogP2.72
Rot. Bonds9

About (4-octylphenyl)-phenyliodanium

(4-octylphenyl)-phenyliodanium (PubChem CID 16696664) has the molecular formula C20H26I+ and a molecular weight of 393.33 g/mol. Its IUPAC name is (4-octylphenyl)-phenyliodanium.

Molecular Properties

Compound Name(4-octylphenyl)-phenyliodanium
PubChem CID16696664
Molecular FormulaC20H26I+
Molecular Weight393.33 g/mol
Exact Mass393.11
IUPAC Name(4-octylphenyl)-phenyliodanium
SMILESCCCCCCCCc1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C20H26I/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)21-19-12-9-7-10-13-19/h7,9-10,12-17H,2-6,8,11H2,1H3/q+1
InChIKeyJDUYLCRBJMMFCT-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4-octylphenyl)-phenyliodanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
1-pentadecyl-4-phenylbenzene
CID 57166115
sodium;hydride;pentadecylbenzene
CID 173461904
potassium;hydride;octadecylbenzene
CID 173344678

Frequently Asked Questions

What is the IUPAC name of (4-octylphenyl)-phenyliodanium?
The IUPAC name of (4-octylphenyl)-phenyliodanium (CID 16696664) is (4-octylphenyl)-phenyliodanium.
What is the SMILES notation for (4-octylphenyl)-phenyliodanium?
The canonical SMILES for (4-octylphenyl)-phenyliodanium is CCCCCCCCc1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of (4-octylphenyl)-phenyliodanium?
The InChIKey is JDUYLCRBJMMFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26I/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)21-19-12-9-7-10-13-19/h7,9-10,12-17H,2-6,8,11H2,1H3/q+1.
What are the key properties of (4-octylphenyl)-phenyliodanium?
(4-octylphenyl)-phenyliodanium has a molecular weight of 393.33 g/mol, XLogP of 2.72, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-octylphenyl)-phenyliodanium is sourced from PubChem (CID 16696664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).