1,3,5-triiodo-2-(3-iodophenoxy)benzene

C12H6I4O — CID 154130113

IUPAC1,3,5-triiodo-2-(3-iodophenoxy)benzene
SMILESIc1cccc(Oc2c(I)cc(I)cc2I)c1
InChIInChI=1S/C12H6I4O/c13-7-2-1-3-9(4-7)17-12-10(15)5-8(14)6-11(12)16/h1-6H
InChIKeyKTXLEDWSVIAORS-UHFFFAOYSA-N
MW673.79 g/mol
LogP5.90
Rot. Bonds2

About 1,3,5-triiodo-2-(3-iodophenoxy)benzene

1,3,5-triiodo-2-(3-iodophenoxy)benzene (PubChem CID 154130113) has the molecular formula C12H6I4O and a molecular weight of 673.79 g/mol. Its IUPAC name is 1,3,5-triiodo-2-(3-iodophenoxy)benzene.

Molecular Properties

Compound Name1,3,5-triiodo-2-(3-iodophenoxy)benzene
PubChem CID154130113
Molecular FormulaC12H6I4O
Molecular Weight673.79 g/mol
Exact Mass673.66
IUPAC Name1,3,5-triiodo-2-(3-iodophenoxy)benzene
SMILESIc1cccc(Oc2c(I)cc(I)cc2I)c1
InChIInChI=1S/C12H6I4O/c13-7-2-1-3-9(4-7)17-12-10(15)5-8(14)6-11(12)16/h1-6H
InChIKeyKTXLEDWSVIAORS-UHFFFAOYSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.79
LogP ≤ 55.90
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

1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494556
1-fluoro-3-(3-iodophenoxy)benzene
CID 118960389
2-(3-iodophenoxy)-3-methylaniline
CID 115550908
diphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium
CID 153464220
1-(chloromethyl)-3-(3-iodophenoxy)benzene
CID 112594493
4-(3-iodophenoxy)benzonitrile
CID 43137980
(1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol
CID 114059300
5-[4-(2,4,6-triiodophenoxy)phenyl]dibenzothiophen-5-ium
CID 168757603
2-(3-iodophenoxy)-6-methylpyridine
CID 61400141
2-(3-iodophenoxy)pyrazine
CID 60644113
1-chloro-4-(3-iodophenoxy)phthalazine
CID 62140607
1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494478

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triiodo-2-(3-iodophenoxy)benzene?
The IUPAC name of 1,3,5-triiodo-2-(3-iodophenoxy)benzene (CID 154130113) is 1,3,5-triiodo-2-(3-iodophenoxy)benzene.
What is the SMILES notation for 1,3,5-triiodo-2-(3-iodophenoxy)benzene?
The canonical SMILES for 1,3,5-triiodo-2-(3-iodophenoxy)benzene is Ic1cccc(Oc2c(I)cc(I)cc2I)c1.
What is the InChIKey of 1,3,5-triiodo-2-(3-iodophenoxy)benzene?
The InChIKey is KTXLEDWSVIAORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6I4O/c13-7-2-1-3-9(4-7)17-12-10(15)5-8(14)6-11(12)16/h1-6H.
What are the key properties of 1,3,5-triiodo-2-(3-iodophenoxy)benzene?
1,3,5-triiodo-2-(3-iodophenoxy)benzene has a molecular weight of 673.79 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triiodo-2-(3-iodophenoxy)benzene is sourced from PubChem (CID 154130113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).