1,7-dibromodibenzofuran

C12H6Br2O — CID 6427988

IUPAC1,7-dibromodibenzofuran
SMILESBrc1ccc2c(c1)oc1cccc(Br)c12
InChIInChI=1S/C12H6Br2O/c13-7-4-5-8-11(6-7)15-10-3-1-2-9(14)12(8)10/h1-6H
InChIKeyHXTPPPWXNHSMLZ-UHFFFAOYSA-N
MW325.99 g/mol
LogP5.11
Rot. Bonds

About 1,7-dibromodibenzofuran

1,7-dibromodibenzofuran (PubChem CID 6427988) has the molecular formula C12H6Br2O and a molecular weight of 325.99 g/mol. Its IUPAC name is 1,7-dibromodibenzofuran.

Molecular Properties

Compound Name1,7-dibromodibenzofuran
PubChem CID6427988
Molecular FormulaC12H6Br2O
Molecular Weight325.99 g/mol
Exact Mass323.88
IUPAC Name1,7-dibromodibenzofuran
SMILESBrc1ccc2c(c1)oc1cccc(Br)c12
InChIInChI=1S/C12H6Br2O/c13-7-4-5-8-11(6-7)15-10-3-1-2-9(14)12(8)10/h1-6H
InChIKeyHXTPPPWXNHSMLZ-UHFFFAOYSA-N
XLogP5.11
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.99
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7-dibromodibenzofuran?
The IUPAC name of 1,7-dibromodibenzofuran (CID 6427988) is 1,7-dibromodibenzofuran.
What is the SMILES notation for 1,7-dibromodibenzofuran?
The canonical SMILES for 1,7-dibromodibenzofuran is Brc1ccc2c(c1)oc1cccc(Br)c12.
What is the InChIKey of 1,7-dibromodibenzofuran?
The InChIKey is HXTPPPWXNHSMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2O/c13-7-4-5-8-11(6-7)15-10-3-1-2-9(14)12(8)10/h1-6H.
What are the key properties of 1,7-dibromodibenzofuran?
1,7-dibromodibenzofuran has a molecular weight of 325.99 g/mol, XLogP of 5.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dibromodibenzofuran is sourced from PubChem (CID 6427988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).