1,4-diiododibenzo-p-dioxin

C12H6I2O2 — CID 172505013

IUPAC1,4-diiododibenzo-p-dioxin
SMILESIc1ccc(I)c2c1Oc1ccccc1O2
InChIInChI=1S/C12H6I2O2/c13-7-5-6-8(14)12-11(7)15-9-3-1-2-4-10(9)16-12/h1-6H
InChIKeyJOFRFOPTQLXTQR-UHFFFAOYSA-N
MW435.99 g/mol
LogP4.79
Rot. Bonds

About 1,4-diiododibenzo-p-dioxin

1,4-diiododibenzo-p-dioxin (PubChem CID 172505013) has the molecular formula C12H6I2O2 and a molecular weight of 435.99 g/mol. Its IUPAC name is 1,4-diiododibenzo-p-dioxin.

Molecular Properties

Compound Name1,4-diiododibenzo-p-dioxin
PubChem CID172505013
Molecular FormulaC12H6I2O2
Molecular Weight435.99 g/mol
Exact Mass435.85
IUPAC Name1,4-diiododibenzo-p-dioxin
SMILESIc1ccc(I)c2c1Oc1ccccc1O2
InChIInChI=1S/C12H6I2O2/c13-7-5-6-8(14)12-11(7)15-9-3-1-2-4-10(9)16-12/h1-6H
InChIKeyJOFRFOPTQLXTQR-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.99
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-9H-xanthene
CID 11045034
7-oxabicyclo[4.1.0]hepta-1,3,5-triene;sulfane
CID 174614993
dibenzo-p-dioxin-1,4-diamine
CID 45028383
thieno[3,4-b][1,4]benzodioxine-1,3-diamine
CID 134179866
1,4-diiodo-6,6-dioxobenzo[c][1,5,2]benzodioxathiocin-12-one
CID 172504814
1,4-dioxine;1,2,3,4-tetrachlorodibenzo-p-dioxin
CID 66898767
1,3-dimethyldibenzo-p-dioxin
CID 131860997
2,4-diiodo-9H-xanthen-3-ol
CID 91488087
dibenzo-p-dioxin-1-carbonitrile
CID 11275811
thieno[3,4-b][1,4]benzodioxine
CID 11159801
1,2-diiodobenzene;tetrahydrofluoride
CID 174612997
3,17,20,34-tetraoxa-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene
CID 123300625

Frequently Asked Questions

What is the IUPAC name of 1,4-diiododibenzo-p-dioxin?
The IUPAC name of 1,4-diiododibenzo-p-dioxin (CID 172505013) is 1,4-diiododibenzo-p-dioxin.
What is the SMILES notation for 1,4-diiododibenzo-p-dioxin?
The canonical SMILES for 1,4-diiododibenzo-p-dioxin is Ic1ccc(I)c2c1Oc1ccccc1O2.
What is the InChIKey of 1,4-diiododibenzo-p-dioxin?
The InChIKey is JOFRFOPTQLXTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6I2O2/c13-7-5-6-8(14)12-11(7)15-9-3-1-2-4-10(9)16-12/h1-6H.
What are the key properties of 1,4-diiododibenzo-p-dioxin?
1,4-diiododibenzo-p-dioxin has a molecular weight of 435.99 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diiododibenzo-p-dioxin is sourced from PubChem (CID 172505013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).