2,6-diiododibenzofuran

C12H6I2O — CID 56649788

IUPAC2,6-diiododibenzofuran
SMILESIc1ccc2oc3c(I)cccc3c2c1
InChIInChI=1S/C12H6I2O/c13-7-4-5-11-9(6-7)8-2-1-3-10(14)12(8)15-11/h1-6H
InChIKeyUGYKXINKPOXHAS-UHFFFAOYSA-N
MW419.99 g/mol
LogP4.80
Rot. Bonds

About 2,6-diiododibenzofuran

2,6-diiododibenzofuran (PubChem CID 56649788) has the molecular formula C12H6I2O and a molecular weight of 419.99 g/mol. Its IUPAC name is 2,6-diiododibenzofuran.

Molecular Properties

Compound Name2,6-diiododibenzofuran
PubChem CID56649788
Molecular FormulaC12H6I2O
Molecular Weight419.99 g/mol
Exact Mass419.85
IUPAC Name2,6-diiododibenzofuran
SMILESIc1ccc2oc3c(I)cccc3c2c1
InChIInChI=1S/C12H6I2O/c13-7-4-5-11-9(6-7)8-2-1-3-10(14)12(8)15-11/h1-6H
InChIKeyUGYKXINKPOXHAS-UHFFFAOYSA-N
XLogP4.80
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.99
LogP ≤ 54.80
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

2-bromo-6-iododibenzofuran
CID 129100797
2,4-diiodoxanthen-9-one
CID 172504971
7-(3-iodophenyl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene
CID 130191095
8-bromodibenzofuran-4-ol
CID 163774283
8-iodo-4-methylchromen-2-one
CID 130067017
4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran
CID 170289926
19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene
CID 148570341
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595
7-chloro-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 147340870
1-iodo-6-methyldibenzofuran
CID 137496766
CID 174363162
CID 174363162
3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene
CID 122694635

Frequently Asked Questions

What is the IUPAC name of 2,6-diiododibenzofuran?
The IUPAC name of 2,6-diiododibenzofuran (CID 56649788) is 2,6-diiododibenzofuran.
What is the SMILES notation for 2,6-diiododibenzofuran?
The canonical SMILES for 2,6-diiododibenzofuran is Ic1ccc2oc3c(I)cccc3c2c1.
What is the InChIKey of 2,6-diiododibenzofuran?
The InChIKey is UGYKXINKPOXHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6I2O/c13-7-4-5-11-9(6-7)8-2-1-3-10(14)12(8)15-11/h1-6H.
What are the key properties of 2,6-diiododibenzofuran?
2,6-diiododibenzofuran has a molecular weight of 419.99 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diiododibenzofuran is sourced from PubChem (CID 56649788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).