bis[2-(2-methoxyethoxy)phenyl]iodanium

C18H22IO4+ — CID 139829734

IUPACbis[2-(2-methoxyethoxy)phenyl]iodanium
SMILESCOCCOc1ccccc1[I+]c1ccccc1OCCOC
InChIInChI=1S/C18H22IO4/c1-20-11-13-22-17-9-5-3-7-15(17)19-16-8-4-6-10-18(16)23-14-12-21-2/h3-10H,11-14H2,1-2H3/q+1
InChIKeyMSHLTEVHDCINTE-UHFFFAOYSA-N
MW429.27 g/mol
LogP-0.13
Rot. Bonds10

About bis[2-(2-methoxyethoxy)phenyl]iodanium

bis[2-(2-methoxyethoxy)phenyl]iodanium (PubChem CID 139829734) has the molecular formula C18H22IO4+ and a molecular weight of 429.27 g/mol. Its IUPAC name is bis[2-(2-methoxyethoxy)phenyl]iodanium.

Molecular Properties

Compound Namebis[2-(2-methoxyethoxy)phenyl]iodanium
PubChem CID139829734
Molecular FormulaC18H22IO4+
Molecular Weight429.27 g/mol
Exact Mass429.06
IUPAC Namebis[2-(2-methoxyethoxy)phenyl]iodanium
SMILESCOCCOc1ccccc1[I+]c1ccccc1OCCOC
InChIInChI=1S/C18H22IO4/c1-20-11-13-22-17-9-5-3-7-15(17)19-16-8-4-6-10-18(16)23-14-12-21-2/h3-10H,11-14H2,1-2H3/q+1
InChIKeyMSHLTEVHDCINTE-UHFFFAOYSA-N
XLogP-0.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
4-[2-(2-methoxyethoxy)phenyl]benzaldehyde
CID 113438349
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
4-[2-(2-methoxyethoxy)phenyl]piperidine;hydrochloride
CID 163359265
[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium
CID 139829579
3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104658969
1-[2-(2-methoxyethoxy)phenyl]-2-phenylethanol
CID 104658697
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
2-(2-methoxyethoxy)benzenesulfonyl chloride
CID 75466193
[2-(2-methoxyethoxy)phenyl]-diphenylselanium
CID 139829681
N-ethoxy-2-(2-methoxyethoxy)aniline
CID 57186576

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-methoxyethoxy)phenyl]iodanium?
The IUPAC name of bis[2-(2-methoxyethoxy)phenyl]iodanium (CID 139829734) is bis[2-(2-methoxyethoxy)phenyl]iodanium.
What is the SMILES notation for bis[2-(2-methoxyethoxy)phenyl]iodanium?
The canonical SMILES for bis[2-(2-methoxyethoxy)phenyl]iodanium is COCCOc1ccccc1[I+]c1ccccc1OCCOC.
What is the InChIKey of bis[2-(2-methoxyethoxy)phenyl]iodanium?
The InChIKey is MSHLTEVHDCINTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22IO4/c1-20-11-13-22-17-9-5-3-7-15(17)19-16-8-4-6-10-18(16)23-14-12-21-2/h3-10H,11-14H2,1-2H3/q+1.
What are the key properties of bis[2-(2-methoxyethoxy)phenyl]iodanium?
bis[2-(2-methoxyethoxy)phenyl]iodanium has a molecular weight of 429.27 g/mol, XLogP of -0.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-methoxyethoxy)phenyl]iodanium is sourced from PubChem (CID 139829734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).