9-bromobenzo[f][1]benzofuran-3-one

C12H7BrO2 — CID 61030010

IUPAC9-bromobenzo[f][1]benzofuran-3-one
SMILESO=C1COc2c1cc1ccccc1c2Br
InChIInChI=1S/C12H7BrO2/c13-11-8-4-2-1-3-7(8)5-9-10(14)6-15-12(9)11/h1-5H,6H2
InChIKeyISKBTMPDNODADO-UHFFFAOYSA-N
MW263.09 g/mol
LogP3.18
Rot. Bonds

About 9-bromobenzo[f][1]benzofuran-3-one

9-bromobenzo[f][1]benzofuran-3-one (PubChem CID 61030010) has the molecular formula C12H7BrO2 and a molecular weight of 263.09 g/mol. Its IUPAC name is 9-bromobenzo[f][1]benzofuran-3-one.

Molecular Properties

Compound Name9-bromobenzo[f][1]benzofuran-3-one
PubChem CID61030010
Molecular FormulaC12H7BrO2
Molecular Weight263.09 g/mol
Exact Mass261.96
IUPAC Name9-bromobenzo[f][1]benzofuran-3-one
SMILESO=C1COc2c1cc1ccccc1c2Br
InChIInChI=1S/C12H7BrO2/c13-11-8-4-2-1-3-7(8)5-9-10(14)6-15-12(9)11/h1-5H,6H2
InChIKeyISKBTMPDNODADO-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-bromobenzo[f][1]benzofuran-3-one?
The IUPAC name of 9-bromobenzo[f][1]benzofuran-3-one (CID 61030010) is 9-bromobenzo[f][1]benzofuran-3-one.
What is the SMILES notation for 9-bromobenzo[f][1]benzofuran-3-one?
The canonical SMILES for 9-bromobenzo[f][1]benzofuran-3-one is O=C1COc2c1cc1ccccc1c2Br.
What is the InChIKey of 9-bromobenzo[f][1]benzofuran-3-one?
The InChIKey is ISKBTMPDNODADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrO2/c13-11-8-4-2-1-3-7(8)5-9-10(14)6-15-12(9)11/h1-5H,6H2.
What are the key properties of 9-bromobenzo[f][1]benzofuran-3-one?
9-bromobenzo[f][1]benzofuran-3-one has a molecular weight of 263.09 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromobenzo[f][1]benzofuran-3-one is sourced from PubChem (CID 61030010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).