1-benzo[f][1]benzofuran-2-yl-2-bromoethanone

C14H9BrO2 — CID 165356298

IUPAC1-benzo[f][1]benzofuran-2-yl-2-bromoethanone
SMILESO=C(CBr)c1cc2cc3ccccc3cc2o1
InChIInChI=1S/C14H9BrO2/c15-8-12(16)14-7-11-5-9-3-1-2-4-10(9)6-13(11)17-14/h1-7H,8H2
InChIKeyMWQQDZFAPWCMQD-UHFFFAOYSA-N
MW289.13 g/mol
LogP4.16
Rot. Bonds2

About 1-benzo[f][1]benzofuran-2-yl-2-bromoethanone

1-benzo[f][1]benzofuran-2-yl-2-bromoethanone (PubChem CID 165356298) has the molecular formula C14H9BrO2 and a molecular weight of 289.13 g/mol. Its IUPAC name is 1-benzo[f][1]benzofuran-2-yl-2-bromoethanone.

Molecular Properties

Compound Name1-benzo[f][1]benzofuran-2-yl-2-bromoethanone
PubChem CID165356298
Molecular FormulaC14H9BrO2
Molecular Weight289.13 g/mol
Exact Mass287.98
IUPAC Name1-benzo[f][1]benzofuran-2-yl-2-bromoethanone
SMILESO=C(CBr)c1cc2cc3ccccc3cc2o1
InChIInChI=1S/C14H9BrO2/c15-8-12(16)14-7-11-5-9-3-1-2-4-10(9)6-13(11)17-14/h1-7H,8H2
InChIKeyMWQQDZFAPWCMQD-UHFFFAOYSA-N
XLogP4.16
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromoacetyl)benzo[g]chromen-2-one
CID 11267082
benzo[f][1]benzofuran-2-carboxylic acid
CID 21450579
2-bromo-1-(6-fluoro-1-benzofuran-2-yl)ethanone
CID 118068597
2-bromo-1-(6-nitro-1-benzofuran-2-yl)ethanone
CID 150565982
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one
CID 114736388
1-(1-benzofuran-2-yl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552679
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
2-oxobenzo[g]chromene-3-carboxylic acid
CID 11345462
1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone
CID 43800797

Frequently Asked Questions

What is the IUPAC name of 1-benzo[f][1]benzofuran-2-yl-2-bromoethanone?
The IUPAC name of 1-benzo[f][1]benzofuran-2-yl-2-bromoethanone (CID 165356298) is 1-benzo[f][1]benzofuran-2-yl-2-bromoethanone.
What is the SMILES notation for 1-benzo[f][1]benzofuran-2-yl-2-bromoethanone?
The canonical SMILES for 1-benzo[f][1]benzofuran-2-yl-2-bromoethanone is O=C(CBr)c1cc2cc3ccccc3cc2o1.
What is the InChIKey of 1-benzo[f][1]benzofuran-2-yl-2-bromoethanone?
The InChIKey is MWQQDZFAPWCMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrO2/c15-8-12(16)14-7-11-5-9-3-1-2-4-10(9)6-13(11)17-14/h1-7H,8H2.
What are the key properties of 1-benzo[f][1]benzofuran-2-yl-2-bromoethanone?
1-benzo[f][1]benzofuran-2-yl-2-bromoethanone has a molecular weight of 289.13 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzo[f][1]benzofuran-2-yl-2-bromoethanone is sourced from PubChem (CID 165356298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).