2-(4-bromophenyl)-1-benzofuran

C14H9BrO — CID 15193131

IUPAC2-(4-bromophenyl)-1-benzofuran
SMILESBrc1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C14H9BrO/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9H
InChIKeyOKLLCXQQBVCIPA-UHFFFAOYSA-N
MW273.13 g/mol
LogP4.86
Rot. Bonds1

About 2-(4-bromophenyl)-1-benzofuran

2-(4-bromophenyl)-1-benzofuran (PubChem CID 15193131) has the molecular formula C14H9BrO and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-benzofuran.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-benzofuran
PubChem CID15193131
Molecular FormulaC14H9BrO
Molecular Weight273.13 g/mol
Exact Mass271.98
IUPAC Name2-(4-bromophenyl)-1-benzofuran
SMILESBrc1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C14H9BrO/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9H
InChIKeyOKLLCXQQBVCIPA-UHFFFAOYSA-N
XLogP4.86
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 54.86
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
2-Bromodibenzofuran
CID 6856
2-Methylbenzofuran
CID 20263
2,3,7,8-Tetrabromodibenzofuran
CID 49973
4'-Bromoflavone
CID 1686
Benzofurans
CID 253613
Dibenzofuran, 2,7-dibromo-
CID 47643
1,2,3,7,8-Pentabromodibenzofuran
CID 86281
2-Benzoylbenzofuran
CID 95808
1,2,7,8-Tetrabromodibenzofuran
CID 55290

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-benzofuran?
The IUPAC name of 2-(4-bromophenyl)-1-benzofuran (CID 15193131) is 2-(4-bromophenyl)-1-benzofuran.
What is the SMILES notation for 2-(4-bromophenyl)-1-benzofuran?
The canonical SMILES for 2-(4-bromophenyl)-1-benzofuran is Brc1ccc(-c2cc3ccccc3o2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-benzofuran?
The InChIKey is OKLLCXQQBVCIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrO/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9H.
What are the key properties of 2-(4-bromophenyl)-1-benzofuran?
2-(4-bromophenyl)-1-benzofuran has a molecular weight of 273.13 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-benzofuran is sourced from PubChem (CID 15193131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).