[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium

C22H22IO3+ — CID 139829579

IUPAC[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium
SMILESc1ccc(OCCOCCOc2ccccc2[I+]c2ccccc2)cc1
InChIInChI=1S/C22H22IO3/c1-3-9-19(10-4-1)23-21-13-7-8-14-22(21)26-18-16-24-15-17-25-20-11-5-2-6-12-20/h1-14H,15-18H2/q+1
InChIKeyKTGKXVJYBBLBOS-UHFFFAOYSA-N
MW461.32 g/mol
LogP1.29
Rot. Bonds10

About [2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium

[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium (PubChem CID 139829579) has the molecular formula C22H22IO3+ and a molecular weight of 461.32 g/mol. Its IUPAC name is [2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium.

Molecular Properties

Compound Name[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium
PubChem CID139829579
Molecular FormulaC22H22IO3+
Molecular Weight461.32 g/mol
Exact Mass461.06
IUPAC Name[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium
SMILESc1ccc(OCCOCCOc2ccccc2[I+]c2ccccc2)cc1
InChIInChI=1S/C22H22IO3/c1-3-9-19(10-4-1)23-21-13-7-8-14-22(21)26-18-16-24-15-17-25-20-11-5-2-6-12-20/h1-14H,15-18H2/q+1
InChIKeyKTGKXVJYBBLBOS-UHFFFAOYSA-N
XLogP1.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.32
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dioxido-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenoxy]borane;hexafluoroarsenic(1-);tris([2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium)
CID 159231704
[2-[2-(2-ethoxyethoxy)ethoxy]phenyl]-phenyliodanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide
CID 139829997
bis[2-(2-methoxyethoxy)phenyl]iodanium
CID 139829734
2-(2-phenoxyethoxy)ethanol
CID 7715
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2-phenoxyethylmercury
CID 163598363
[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-phenyliodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139829954
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium?
The IUPAC name of [2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium (CID 139829579) is [2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium.
What is the SMILES notation for [2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium?
The canonical SMILES for [2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium is c1ccc(OCCOCCOc2ccccc2[I+]c2ccccc2)cc1.
What is the InChIKey of [2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium?
The InChIKey is KTGKXVJYBBLBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22IO3/c1-3-9-19(10-4-1)23-21-13-7-8-14-22(21)26-18-16-24-15-17-25-20-11-5-2-6-12-20/h1-14H,15-18H2/q+1.
What are the key properties of [2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium?
[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium has a molecular weight of 461.32 g/mol, XLogP of 1.29, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium is sourced from PubChem (CID 139829579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).