8-bromo-2,3,5,6-tetrahydrocyclopenta[f][1]benzofuran-7-one

C11H9BrO2 — CID 25143462

IUPAC8-bromo-2,3,5,6-tetrahydrocyclopenta[f][1]benzofuran-7-one
SMILESO=C1CCc2cc3c(c(Br)c21)OCC3
InChIInChI=1S/C11H9BrO2/c12-10-9-6(1-2-8(9)13)5-7-3-4-14-11(7)10/h5H,1-4H2
InChIKeyKISVTHVBLPBCSM-UHFFFAOYSA-N
MW253.09 g/mol
LogP2.51
Rot. Bonds

About 8-bromo-2,3,5,6-tetrahydrocyclopenta[f][1]benzofuran-7-one

8-bromo-2,3,5,6-tetrahydrocyclopenta[f][1]benzofuran-7-one (PubChem CID 25143462) has the molecular formula C11H9BrO2 and a molecular weight of 253.09 g/mol. Its IUPAC name is 8-bromo-2,3,5,6-tetrahydrocyclopenta[f][1]benzofuran-7-one.

Molecular Properties

Compound Name8-bromo-2,3,5,6-tetrahydrocyclopenta[f][1]benzofuran-7-one
PubChem CID25143462
Molecular FormulaC11H9BrO2
Molecular Weight253.09 g/mol
Exact Mass251.98
IUPAC Name8-bromo-2,3,5,6-tetrahydrocyclopenta[f][1]benzofuran-7-one
SMILESO=C1CCc2cc3c(c(Br)c21)OCC3
InChIInChI=1S/C11H9BrO2/c12-10-9-6(1-2-8(9)13)5-7-3-4-14-11(7)10/h5H,1-4H2
InChIKeyKISVTHVBLPBCSM-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,3,5,6-tetrahydrocyclopenta[f][1]benzofuran-7-one?
The IUPAC name of 8-bromo-2,3,5,6-tetrahydrocyclopenta[f][1]benzofuran-7-one (CID 25143462) is 8-bromo-2,3,5,6-tetrahydrocyclopenta[f][1]benzofuran-7-one.
What is the SMILES notation for 8-bromo-2,3,5,6-tetrahydrocyclopenta[f][1]benzofuran-7-one?
The canonical SMILES for 8-bromo-2,3,5,6-tetrahydrocyclopenta[f][1]benzofuran-7-one is O=C1CCc2cc3c(c(Br)c21)OCC3.
What is the InChIKey of 8-bromo-2,3,5,6-tetrahydrocyclopenta[f][1]benzofuran-7-one?
The InChIKey is KISVTHVBLPBCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2/c12-10-9-6(1-2-8(9)13)5-7-3-4-14-11(7)10/h5H,1-4H2.
What are the key properties of 8-bromo-2,3,5,6-tetrahydrocyclopenta[f][1]benzofuran-7-one?
8-bromo-2,3,5,6-tetrahydrocyclopenta[f][1]benzofuran-7-one has a molecular weight of 253.09 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,3,5,6-tetrahydrocyclopenta[f][1]benzofuran-7-one is sourced from PubChem (CID 25143462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).