4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran

C13H9BrO3 — CID 86051374

IUPAC4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran
SMILESCOc1ccc(Br)c2cc(-c3ccco3)oc12
InChIInChI=1S/C13H9BrO3/c1-15-11-5-4-9(14)8-7-12(17-13(8)11)10-3-2-6-16-10/h2-7H,1H3
InChIKeyDKJYJGMYICLORC-UHFFFAOYSA-N
MW293.12 g/mol
LogP4.46
Rot. Bonds2

About 4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran

4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran (PubChem CID 86051374) has the molecular formula C13H9BrO3 and a molecular weight of 293.12 g/mol. Its IUPAC name is 4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran.

Molecular Properties

Compound Name4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran
PubChem CID86051374
Molecular FormulaC13H9BrO3
Molecular Weight293.12 g/mol
Exact Mass291.97
IUPAC Name4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran
SMILESCOc1ccc(Br)c2cc(-c3ccco3)oc12
InChIInChI=1S/C13H9BrO3/c1-15-11-5-4-9(14)8-7-12(17-13(8)11)10-3-2-6-16-10/h2-7H,1H3
InChIKeyDKJYJGMYICLORC-UHFFFAOYSA-N
XLogP4.46
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine
CID 86051368
4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran
CID 18526067
2-(2-bromo-4-chloro-5-methoxyphenyl)furan
CID 168525902
2-(2-bromo-4-methoxyphenyl)furan
CID 168524550
2-(4-bromo-2-methoxy-3-methylphenyl)furan
CID 168525781
5-bromo-2-(furan-2-yl)-4-methoxybenzonitrile
CID 168528041
1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone
CID 170895586
ethane;2-(furan-2-yl)furan
CID 161366084
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate
CID 58431996
1-bromo-4-methoxynaphthalene;ethane
CID 143974048
2-bromo-4-fluoro-7-methoxy-1-benzofuran
CID 83919585

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran?
The IUPAC name of 4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran (CID 86051374) is 4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran.
What is the SMILES notation for 4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran?
The canonical SMILES for 4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran is COc1ccc(Br)c2cc(-c3ccco3)oc12.
What is the InChIKey of 4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran?
The InChIKey is DKJYJGMYICLORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO3/c1-15-11-5-4-9(14)8-7-12(17-13(8)11)10-3-2-6-16-10/h2-7H,1H3.
What are the key properties of 4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran?
4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran has a molecular weight of 293.12 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran is sourced from PubChem (CID 86051374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).