2,8-dichlorodibenzofuran

C12H6Cl2O — CID 21510

IUPAC2,8-dichlorodibenzofuran
SMILESClc1ccc2oc3ccc(Cl)cc3c2c1
InChIInChI=1S/C12H6Cl2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H
InChIKeyIVVRJIDVYSPKFZ-UHFFFAOYSA-N
MW237.09 g/mol
LogP4.89
Rot. Bonds

About 2,8-dichlorodibenzofuran

2,8-dichlorodibenzofuran (PubChem CID 21510) has the molecular formula C12H6Cl2O and a molecular weight of 237.09 g/mol. Its IUPAC name is 2,8-dichlorodibenzofuran.

Molecular Properties

Compound Name2,8-dichlorodibenzofuran
PubChem CID21510
Molecular FormulaC12H6Cl2O
Molecular Weight237.09 g/mol
Exact Mass235.98
IUPAC Name2,8-dichlorodibenzofuran
SMILESClc1ccc2oc3ccc(Cl)cc3c2c1
InChIInChI=1S/C12H6Cl2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H
InChIKeyIVVRJIDVYSPKFZ-UHFFFAOYSA-N
XLogP4.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,7,8-Tetrachlorodibenzofuran
CID 39929
2,3,4,7,8-Pentachlorodibenzofuran
CID 42128
Dibenzofuran
CID 568
1,2,3,7,8-Pentachlorodibenzofuran
CID 42138
6-Methyl-1,3,8-trichlorodibenzofuran
CID 114900
2,3,8-Trichlorodibenzofuran
CID 42129
2,3,4,6,7,8-Hexachlorodibenzofuran
CID 43495
2,3,4,7-Tetrachlorodibenzofuran
CID 55111
2-Chlorodibenzofuran
CID 32781
2,3,6,8-Tetrachlorodibenzofuran
CID 42134
2,3,4,6-Tetrachlorodibenzofuran
CID 44101
1,2,3,6-Tetrachlorodibenzofuran
CID 55103

Frequently Asked Questions

What is the IUPAC name of 2,8-dichlorodibenzofuran?
The IUPAC name of 2,8-dichlorodibenzofuran (CID 21510) is 2,8-dichlorodibenzofuran.
What is the SMILES notation for 2,8-dichlorodibenzofuran?
The canonical SMILES for 2,8-dichlorodibenzofuran is Clc1ccc2oc3ccc(Cl)cc3c2c1.
What is the InChIKey of 2,8-dichlorodibenzofuran?
The InChIKey is IVVRJIDVYSPKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H.
What are the key properties of 2,8-dichlorodibenzofuran?
2,8-dichlorodibenzofuran has a molecular weight of 237.09 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichlorodibenzofuran is sourced from PubChem (CID 21510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).