1,3,6,7-tetrachlorodibenzofuran-4-ol

C12H4Cl4O2 — CID 86205217

IUPAC1,3,6,7-tetrachlorodibenzofuran-4-ol
SMILESOc1c(Cl)cc(Cl)c2c1oc1c(Cl)c(Cl)ccc12
InChIInChI=1S/C12H4Cl4O2/c13-5-2-1-4-8-6(14)3-7(15)10(17)12(8)18-11(4)9(5)16/h1-3,17H
InChIKeyMLRXJBYYIYBFEB-UHFFFAOYSA-N
MW321.97 g/mol
LogP5.91
Rot. Bonds

About 1,3,6,7-tetrachlorodibenzofuran-4-ol

1,3,6,7-tetrachlorodibenzofuran-4-ol (PubChem CID 86205217) has the molecular formula C12H4Cl4O2 and a molecular weight of 321.97 g/mol. Its IUPAC name is 1,3,6,7-tetrachlorodibenzofuran-4-ol.

Molecular Properties

Compound Name1,3,6,7-tetrachlorodibenzofuran-4-ol
PubChem CID86205217
Molecular FormulaC12H4Cl4O2
Molecular Weight321.97 g/mol
Exact Mass319.90
IUPAC Name1,3,6,7-tetrachlorodibenzofuran-4-ol
SMILESOc1c(Cl)cc(Cl)c2c1oc1c(Cl)c(Cl)ccc12
InChIInChI=1S/C12H4Cl4O2/c13-5-2-1-4-8-6(14)3-7(15)10(17)12(8)18-11(4)9(5)16/h1-3,17H
InChIKeyMLRXJBYYIYBFEB-UHFFFAOYSA-N
XLogP5.91
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.97
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,6,7-tetrachlorodibenzofuran-4-ol?
The IUPAC name of 1,3,6,7-tetrachlorodibenzofuran-4-ol (CID 86205217) is 1,3,6,7-tetrachlorodibenzofuran-4-ol.
What is the SMILES notation for 1,3,6,7-tetrachlorodibenzofuran-4-ol?
The canonical SMILES for 1,3,6,7-tetrachlorodibenzofuran-4-ol is Oc1c(Cl)cc(Cl)c2c1oc1c(Cl)c(Cl)ccc12.
What is the InChIKey of 1,3,6,7-tetrachlorodibenzofuran-4-ol?
The InChIKey is MLRXJBYYIYBFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl4O2/c13-5-2-1-4-8-6(14)3-7(15)10(17)12(8)18-11(4)9(5)16/h1-3,17H.
What are the key properties of 1,3,6,7-tetrachlorodibenzofuran-4-ol?
1,3,6,7-tetrachlorodibenzofuran-4-ol has a molecular weight of 321.97 g/mol, XLogP of 5.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,7-tetrachlorodibenzofuran-4-ol is sourced from PubChem (CID 86205217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).