2-bromodibenzofuran

C12H7BrO — CID 6856

IUPAC2-bromodibenzofuran
SMILESBrc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C12H7BrO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
InChIKeyCRJISNQTZDMKQD-UHFFFAOYSA-N
MW247.09 g/mol
LogP4.35
Rot. Bonds

About 2-bromodibenzofuran

2-bromodibenzofuran (PubChem CID 6856) has the molecular formula C12H7BrO and a molecular weight of 247.09 g/mol. Its IUPAC name is 2-bromodibenzofuran.

Molecular Properties

Compound Name2-bromodibenzofuran
PubChem CID6856
Molecular FormulaC12H7BrO
Molecular Weight247.09 g/mol
Exact Mass245.97
IUPAC Name2-bromodibenzofuran
SMILESBrc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C12H7BrO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
InChIKeyCRJISNQTZDMKQD-UHFFFAOYSA-N
XLogP4.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzofuran
CID 568
2,3-Dimethylbenzofuran
CID 2734646
2,8-Dibromodibenzofuran
CID 82290
6-Bromoflavone
CID 466276
2,3,7,8-Tetrabromodibenzofuran
CID 49973
1,2,3,6,7,8-Hexabromodibenzofuran
CID 176051
Dibenzofuran, 2,7-dibromo-
CID 47643
1,2,3,7,8-Pentabromodibenzofuran
CID 86281
2,3,4,7,8-Pentabromodibenzofuran
CID 107998
Heptabromodibenzofuran
CID 176052
Benzofurans
CID 253613
1,2,7,8-Tetrabromodibenzofuran
CID 55290

Frequently Asked Questions

What is the IUPAC name of 2-bromodibenzofuran?
The IUPAC name of 2-bromodibenzofuran (CID 6856) is 2-bromodibenzofuran.
What is the SMILES notation for 2-bromodibenzofuran?
The canonical SMILES for 2-bromodibenzofuran is Brc1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-bromodibenzofuran?
The InChIKey is CRJISNQTZDMKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H.
What are the key properties of 2-bromodibenzofuran?
2-bromodibenzofuran has a molecular weight of 247.09 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromodibenzofuran is sourced from PubChem (CID 6856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).