6-bromo-1-benzofuran

C8H5BrO — CID 15158722

IUPAC6-bromo-1-benzofuran
SMILESBrc1ccc2ccoc2c1
InChIInChI=1S/C8H5BrO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H
InChIKeyBBXQYOQXGGJUFK-UHFFFAOYSA-N
MW197.03 g/mol
LogP3.20
Rot. Bonds

About 6-bromo-1-benzofuran

6-bromo-1-benzofuran (PubChem CID 15158722) has the molecular formula C8H5BrO and a molecular weight of 197.03 g/mol. Its IUPAC name is 6-bromo-1-benzofuran.

Molecular Properties

Compound Name6-bromo-1-benzofuran
PubChem CID15158722
Molecular FormulaC8H5BrO
Molecular Weight197.03 g/mol
Exact Mass195.95
IUPAC Name6-bromo-1-benzofuran
SMILESBrc1ccc2ccoc2c1
InChIInChI=1S/C8H5BrO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H
InChIKeyBBXQYOQXGGJUFK-UHFFFAOYSA-N
XLogP3.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.03
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzofuran
CID 9223
2,8-Dibromodibenzofuran
CID 82290
2-Bromodibenzofuran
CID 6856
2-Methylbenzofuran
CID 20263
2,3,7,8-Tetrabromodibenzofuran
CID 49973
Dibenzofuran, 2,7-dibromo-
CID 47643
1,2,7,8-Tetrabromodibenzofuran
CID 55290
3,4,8-Tribromo-dibenzofuran
CID 526349
3-Bromodibenzofuran
CID 296861
4-Bromodibenzo[b,d]furan
CID 458256
5-(4-Bromophenyl)-2-furaldehyde
CID 619577
2-(4-Bromophenyl)benzofuran
CID 15193131

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-benzofuran?
The IUPAC name of 6-bromo-1-benzofuran (CID 15158722) is 6-bromo-1-benzofuran.
What is the SMILES notation for 6-bromo-1-benzofuran?
The canonical SMILES for 6-bromo-1-benzofuran is Brc1ccc2ccoc2c1.
What is the InChIKey of 6-bromo-1-benzofuran?
The InChIKey is BBXQYOQXGGJUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H.
What are the key properties of 6-bromo-1-benzofuran?
6-bromo-1-benzofuran has a molecular weight of 197.03 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-benzofuran is sourced from PubChem (CID 15158722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).