(4-octylperoxyphenyl)-phenyliodanium

C20H26IO2+ — CID 20722055

IUPAC(4-octylperoxyphenyl)-phenyliodanium
SMILESCCCCCCCCOOc1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C20H26IO2/c1-2-3-4-5-6-10-17-22-23-20-15-13-19(14-16-20)21-18-11-8-7-9-12-18/h7-9,11-16H,2-6,10,17H2,1H3/q+1
InChIKeySCRMZQRQZFVFLI-UHFFFAOYSA-N
MW425.33 g/mol
LogP2.49
Rot. Bonds11

About (4-octylperoxyphenyl)-phenyliodanium

(4-octylperoxyphenyl)-phenyliodanium (PubChem CID 20722055) has the molecular formula C20H26IO2+ and a molecular weight of 425.33 g/mol. Its IUPAC name is (4-octylperoxyphenyl)-phenyliodanium.

Molecular Properties

Compound Name(4-octylperoxyphenyl)-phenyliodanium
PubChem CID20722055
Molecular FormulaC20H26IO2+
Molecular Weight425.33 g/mol
Exact Mass425.10
IUPAC Name(4-octylperoxyphenyl)-phenyliodanium
SMILESCCCCCCCCOOc1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C20H26IO2/c1-2-3-4-5-6-10-17-22-23-20-15-13-19(14-16-20)21-18-11-8-7-9-12-18/h7-9,11-16H,2-6,10,17H2,1H3/q+1
InChIKeySCRMZQRQZFVFLI-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (4-octylperoxyphenyl)-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

(4-octadecoxyphenyl)-phenyliodanium hexafluorophosphate
CID 22342087
(4-octylphenyl)-phenyliodanium
CID 16696664
propylperoxybenzene
CID 87444466
4-nonylperoxybenzenesulfonic acid
CID 57238402
pentoxybenzene;undecane
CID 174778179
(4-butoxyphenyl)-phenyliodanium;diphenyliodanium;trifluoromethanesulfonate
CID 171926953
[4-(4-bromobutoxy)phenyl]-phenyliodanium
CID 150846349
3-octylperoxyphenol
CID 174622967
(2-hydroxy-4-octylperoxyphenyl)-phenylmethanone
CID 152720856
dodecylperoxymethylbenzene
CID 88509810
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
(4-octoxyphenyl)-phenylphosphane
CID 157378460

Frequently Asked Questions

What is the IUPAC name of (4-octylperoxyphenyl)-phenyliodanium?
The IUPAC name of (4-octylperoxyphenyl)-phenyliodanium (CID 20722055) is (4-octylperoxyphenyl)-phenyliodanium.
What is the SMILES notation for (4-octylperoxyphenyl)-phenyliodanium?
The canonical SMILES for (4-octylperoxyphenyl)-phenyliodanium is CCCCCCCCOOc1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of (4-octylperoxyphenyl)-phenyliodanium?
The InChIKey is SCRMZQRQZFVFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26IO2/c1-2-3-4-5-6-10-17-22-23-20-15-13-19(14-16-20)21-18-11-8-7-9-12-18/h7-9,11-16H,2-6,10,17H2,1H3/q+1.
What are the key properties of (4-octylperoxyphenyl)-phenyliodanium?
(4-octylperoxyphenyl)-phenyliodanium has a molecular weight of 425.33 g/mol, XLogP of 2.49, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-octylperoxyphenyl)-phenyliodanium is sourced from PubChem (CID 20722055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).