1-(1-benzofuran-2-yl)-2-bromoethanone

C10H7BrO2 — CID 2735451

IUPAC1-(1-benzofuran-2-yl)-2-bromoethanone
SMILESO=C(CBr)c1cc2ccccc2o1
InChIInChI=1S/C10H7BrO2/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5H,6H2
InChIKeyNVRNCBWTEDOAQA-UHFFFAOYSA-N
MW239.07 g/mol
LogP3.01
Rot. Bonds2

About 1-(1-benzofuran-2-yl)-2-bromoethanone

1-(1-benzofuran-2-yl)-2-bromoethanone (PubChem CID 2735451) has the molecular formula C10H7BrO2 and a molecular weight of 239.07 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-bromoethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-bromoethanone
PubChem CID2735451
Molecular FormulaC10H7BrO2
Molecular Weight239.07 g/mol
Exact Mass237.96
IUPAC Name1-(1-benzofuran-2-yl)-2-bromoethanone
SMILESO=C(CBr)c1cc2ccccc2o1
InChIInChI=1S/C10H7BrO2/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5H,6H2
InChIKeyNVRNCBWTEDOAQA-UHFFFAOYSA-N
XLogP3.01
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-bromoethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-bromoethanone (CID 2735451) is 1-(1-benzofuran-2-yl)-2-bromoethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-bromoethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-bromoethanone is O=C(CBr)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-bromoethanone?
The InChIKey is NVRNCBWTEDOAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5H,6H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-bromoethanone?
1-(1-benzofuran-2-yl)-2-bromoethanone has a molecular weight of 239.07 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-bromoethanone is sourced from PubChem (CID 2735451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).