6-(4-bromophenyl)-1-benzofuran

C14H9BrO — CID 152615797

IUPAC6-(4-bromophenyl)-1-benzofuran
SMILESBrc1ccc(-c2ccc3ccoc3c2)cc1
InChIInChI=1S/C14H9BrO/c15-13-5-3-10(4-6-13)12-2-1-11-7-8-16-14(11)9-12/h1-9H
InChIKeyZALZOZHOQCOURU-UHFFFAOYSA-N
MW273.13 g/mol
LogP4.86
Rot. Bonds1

About 6-(4-bromophenyl)-1-benzofuran

6-(4-bromophenyl)-1-benzofuran (PubChem CID 152615797) has the molecular formula C14H9BrO and a molecular weight of 273.13 g/mol. Its IUPAC name is 6-(4-bromophenyl)-1-benzofuran.

Molecular Properties

Compound Name6-(4-bromophenyl)-1-benzofuran
PubChem CID152615797
Molecular FormulaC14H9BrO
Molecular Weight273.13 g/mol
Exact Mass271.98
IUPAC Name6-(4-bromophenyl)-1-benzofuran
SMILESBrc1ccc(-c2ccc3ccoc3c2)cc1
InChIInChI=1S/C14H9BrO/c15-13-5-3-10(4-6-13)12-2-1-11-7-8-16-14(11)9-12/h1-9H
InChIKeyZALZOZHOQCOURU-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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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-1-benzofuran?
The IUPAC name of 6-(4-bromophenyl)-1-benzofuran (CID 152615797) is 6-(4-bromophenyl)-1-benzofuran.
What is the SMILES notation for 6-(4-bromophenyl)-1-benzofuran?
The canonical SMILES for 6-(4-bromophenyl)-1-benzofuran is Brc1ccc(-c2ccc3ccoc3c2)cc1.
What is the InChIKey of 6-(4-bromophenyl)-1-benzofuran?
The InChIKey is ZALZOZHOQCOURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrO/c15-13-5-3-10(4-6-13)12-2-1-11-7-8-16-14(11)9-12/h1-9H.
What are the key properties of 6-(4-bromophenyl)-1-benzofuran?
6-(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 6-(4-bromophenyl)-1-benzofuran is sourced from PubChem (CID 152615797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).