3-bromo-5-ethenyl-1-benzofuran

C10H7BrO — CID 130050465

IUPAC3-bromo-5-ethenyl-1-benzofuran
SMILESC=Cc1ccc2occ(Br)c2c1
InChIInChI=1S/C10H7BrO/c1-2-7-3-4-10-8(5-7)9(11)6-12-10/h2-6H,1H2
InChIKeyANHNHMHZLZFVDJ-UHFFFAOYSA-N
MW223.07 g/mol
LogP3.84
Rot. Bonds1

About 3-bromo-5-ethenyl-1-benzofuran

3-bromo-5-ethenyl-1-benzofuran (PubChem CID 130050465) has the molecular formula C10H7BrO and a molecular weight of 223.07 g/mol. Its IUPAC name is 3-bromo-5-ethenyl-1-benzofuran.

Molecular Properties

Compound Name3-bromo-5-ethenyl-1-benzofuran
PubChem CID130050465
Molecular FormulaC10H7BrO
Molecular Weight223.07 g/mol
Exact Mass221.97
IUPAC Name3-bromo-5-ethenyl-1-benzofuran
SMILESC=Cc1ccc2occ(Br)c2c1
InChIInChI=1S/C10H7BrO/c1-2-7-3-4-10-8(5-7)9(11)6-12-10/h2-6H,1H2
InChIKeyANHNHMHZLZFVDJ-UHFFFAOYSA-N
XLogP3.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(3-bromo-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione;5-[(2-bromo-3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 162103848
7-ethenylisochromen-1-one
CID 178177184
ethane;7-ethenylisochromen-1-one
CID 178177183
5-bromo-3-methoxy-1-benzofuran
CID 83823580
1-(bromomethyl)-7-ethenylnaphthalene
CID 139944497
4-ethenylbenzene-1,2-diamine
CID 18400401
1-bromo-4-ethenylbenzene;ethane
CID 144688744
2,6-bis(ethenyl)anthracene
CID 102227749
3-(4-ethenylphenyl)-7-hydroxychromen-4-one
CID 71481413
3-bromo-6-fluoro-5-methoxy-1-benzofuran
CID 130050439
5-bromo-3-(1,1-difluoroethyl)-1-benzofuran
CID 84710327
6-ethenyl-3-iodo-2H-indazole
CID 166129183

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethenyl-1-benzofuran?
The IUPAC name of 3-bromo-5-ethenyl-1-benzofuran (CID 130050465) is 3-bromo-5-ethenyl-1-benzofuran.
What is the SMILES notation for 3-bromo-5-ethenyl-1-benzofuran?
The canonical SMILES for 3-bromo-5-ethenyl-1-benzofuran is C=Cc1ccc2occ(Br)c2c1.
What is the InChIKey of 3-bromo-5-ethenyl-1-benzofuran?
The InChIKey is ANHNHMHZLZFVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO/c1-2-7-3-4-10-8(5-7)9(11)6-12-10/h2-6H,1H2.
What are the key properties of 3-bromo-5-ethenyl-1-benzofuran?
3-bromo-5-ethenyl-1-benzofuran has a molecular weight of 223.07 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethenyl-1-benzofuran is sourced from PubChem (CID 130050465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).