2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone

C11H9BrO2S — CID 104799482

IUPAC2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone
SMILESCc1ccoc1C(=O)Cc1ccc(Br)s1
InChIInChI=1S/C11H9BrO2S/c1-7-4-5-14-11(7)9(13)6-8-2-3-10(12)15-8/h2-5H,6H2,1H3
InChIKeyDSVBIDDXDOVJIR-UHFFFAOYSA-N
MW285.16 g/mol
LogP3.84
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone

2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone (PubChem CID 104799482) has the molecular formula C11H9BrO2S and a molecular weight of 285.16 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone
PubChem CID104799482
Molecular FormulaC11H9BrO2S
Molecular Weight285.16 g/mol
Exact Mass283.95
IUPAC Name2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone
SMILESCc1ccoc1C(=O)Cc1ccc(Br)s1
InChIInChI=1S/C11H9BrO2S/c1-7-4-5-14-11(7)9(13)6-8-2-3-10(12)15-8/h2-5H,6H2,1H3
InChIKeyDSVBIDDXDOVJIR-UHFFFAOYSA-N
XLogP3.84
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 114967414
1-(4-amino-3-methylphenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 116553879
2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 104799512
2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62622151
2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone
CID 104799652
1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 62620833
2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101557
2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 105373368
2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
CID 105088833
methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate
CID 82884899
2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 114967413
2-(5-bromothiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone
CID 103451073

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone (CID 104799482) is 2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone is Cc1ccoc1C(=O)Cc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone?
The InChIKey is DSVBIDDXDOVJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2S/c1-7-4-5-14-11(7)9(13)6-8-2-3-10(12)15-8/h2-5H,6H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone?
2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone has a molecular weight of 285.16 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone is sourced from PubChem (CID 104799482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).