1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone

C12H11BrO3 — CID 115010612

IUPAC1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone
SMILESCC(=O)c1c2c(c(Br)c3c1OCC3)OCC2
InChIInChI=1S/C12H11BrO3/c1-6(14)9-7-2-4-16-12(7)10(13)8-3-5-15-11(8)9/h2-5H2,1H3
InChIKeyVTZHNGWMGBBVOC-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.52
Rot. Bonds1

About 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone

1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone (PubChem CID 115010612) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone
PubChem CID115010612
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone
SMILESCC(=O)c1c2c(c(Br)c3c1OCC3)OCC2
InChIInChI=1S/C12H11BrO3/c1-6(14)9-7-2-4-16-12(7)10(13)8-3-5-15-11(8)9/h2-5H2,1H3
InChIKeyVTZHNGWMGBBVOC-UHFFFAOYSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone?
The IUPAC name of 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone (CID 115010612) is 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone?
The canonical SMILES for 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone is CC(=O)c1c2c(c(Br)c3c1OCC3)OCC2.
What is the InChIKey of 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone?
The InChIKey is VTZHNGWMGBBVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO3/c1-6(14)9-7-2-4-16-12(7)10(13)8-3-5-15-11(8)9/h2-5H2,1H3.
What are the key properties of 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone?
1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone has a molecular weight of 283.12 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone is sourced from PubChem (CID 115010612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).