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

C11H9BrO2S — CID 131140639

IUPAC2-(2-bromothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccsc2Br)co1
InChIInChI=1S/C11H9BrO2S/c1-7-4-9(6-14-7)10(13)5-8-2-3-15-11(8)12/h2-4,6H,5H2,1H3
InChIKeyCUAJOHAPWBFHNK-UHFFFAOYSA-N
MW285.16 g/mol
LogP3.84
Rot. Bonds3

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

2-(2-bromothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanone (PubChem CID 131140639) has the molecular formula C11H9BrO2S and a molecular weight of 285.16 g/mol. Its IUPAC name is 2-(2-bromothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanone
PubChem CID131140639
Molecular FormulaC11H9BrO2S
Molecular Weight285.16 g/mol
Exact Mass283.95
IUPAC Name2-(2-bromothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccsc2Br)co1
InChIInChI=1S/C11H9BrO2S/c1-7-4-9(6-14-7)10(13)5-8-2-3-15-11(8)12/h2-4,6H,5H2,1H3
InChIKeyCUAJOHAPWBFHNK-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-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114967171
2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821172
2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 105412231
2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 115797460
1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 114821426
2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821159
(4-bromophenyl)-(5-methylfuran-3-yl)methanone
CID 114819423
1-(5-methylfuran-3-yl)-3-methylsulfanylpropan-1-one
CID 114821180
1-(5-methylfuran-3-yl)hexan-1-one
CID 114966950
1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone
CID 114969173
2-bromo-3-(bromomethyl)thiophene
CID 2735537
N-[[4-(bromomethyl)phenyl]methyl]-5-methylfuran-3-carboxamide
CID 107233651

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanone?
The IUPAC name of 2-(2-bromothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanone (CID 131140639) is 2-(2-bromothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanone.
What is the SMILES notation for 2-(2-bromothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanone?
The canonical SMILES for 2-(2-bromothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanone is Cc1cc(C(=O)Cc2ccsc2Br)co1.
What is the InChIKey of 2-(2-bromothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanone?
The InChIKey is CUAJOHAPWBFHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2S/c1-7-4-9(6-14-7)10(13)5-8-2-3-15-11(8)12/h2-4,6H,5H2,1H3.
What are the key properties of 2-(2-bromothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanone?
2-(2-bromothiophen-3-yl)-1-(5-methylfuran-3-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-(2-bromothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanone is sourced from PubChem (CID 131140639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).