4-bromo-1-benzofuran

C8H5BrO — CID 15158721

IUPAC4-bromo-1-benzofuran
SMILESBrc1cccc2occc12
InChIInChI=1S/C8H5BrO/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H
InChIKeyYFKGZOJEQUDHAD-UHFFFAOYSA-N
MW197.03 g/mol
LogP3.20
Rot. Bonds

About 4-bromo-1-benzofuran

4-bromo-1-benzofuran (PubChem CID 15158721) has the molecular formula C8H5BrO and a molecular weight of 197.03 g/mol. Its IUPAC name is 4-bromo-1-benzofuran.

Molecular Properties

Compound Name4-bromo-1-benzofuran
PubChem CID15158721
Molecular FormulaC8H5BrO
Molecular Weight197.03 g/mol
Exact Mass195.95
IUPAC Name4-bromo-1-benzofuran
SMILESBrc1cccc2occc12
InChIInChI=1S/C8H5BrO/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H
InChIKeyYFKGZOJEQUDHAD-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-benzofuran?
The IUPAC name of 4-bromo-1-benzofuran (CID 15158721) is 4-bromo-1-benzofuran.
What is the SMILES notation for 4-bromo-1-benzofuran?
The canonical SMILES for 4-bromo-1-benzofuran is Brc1cccc2occc12.
What is the InChIKey of 4-bromo-1-benzofuran?
The InChIKey is YFKGZOJEQUDHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrO/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H.
What are the key properties of 4-bromo-1-benzofuran?
4-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 4-bromo-1-benzofuran is sourced from PubChem (CID 15158721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).