1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone

C14H9BrO3 — CID 105126036

IUPAC1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone
SMILESO=C(Cc1ccoc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H9BrO3/c15-11-3-1-2-10-7-13(18-14(10)11)12(16)6-9-4-5-17-8-9/h1-5,7-8H,6H2
InChIKeyTXQMGIZACTWHRP-UHFFFAOYSA-N
MW305.13 g/mol
LogP4.21
Rot. Bonds3

About 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone

1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone (PubChem CID 105126036) has the molecular formula C14H9BrO3 and a molecular weight of 305.13 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone
PubChem CID105126036
Molecular FormulaC14H9BrO3
Molecular Weight305.13 g/mol
Exact Mass303.97
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone
SMILESO=C(Cc1ccoc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H9BrO3/c15-11-3-1-2-10-7-13(18-14(10)11)12(16)6-9-4-5-17-8-9/h1-5,7-8H,6H2
InChIKeyTXQMGIZACTWHRP-UHFFFAOYSA-N
XLogP4.21
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone
CID 105078433
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone
CID 105078047
1-(7-bromo-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093405
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105177810
1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 105133836
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
1-(5-bromothiophen-2-yl)-2-(furan-3-yl)ethanone
CID 83171153
7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 110890190
(3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone
CID 65244577
1-(7-ethyl-1-benzofuran-2-yl)propan-1-one
CID 65427670

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone (CID 105126036) is 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone is O=C(Cc1ccoc1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone?
The InChIKey is TXQMGIZACTWHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrO3/c15-11-3-1-2-10-7-13(18-14(10)11)12(16)6-9-4-5-17-8-9/h1-5,7-8H,6H2.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone?
1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone has a molecular weight of 305.13 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone is sourced from PubChem (CID 105126036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).