2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone

C15H11BrO2S — CID 105092387

IUPAC2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1ccc2oc(C(=O)Cc3cc(Br)cs3)cc2c1
InChIInChI=1S/C15H11BrO2S/c1-9-2-3-14-10(4-9)5-15(18-14)13(17)7-12-6-11(16)8-19-12/h2-6,8H,7H2,1H3
InChIKeyPZBIFPNLSDDLIC-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.99
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone

2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 105092387) has the molecular formula C15H11BrO2S and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
PubChem CID105092387
Molecular FormulaC15H11BrO2S
Molecular Weight335.22 g/mol
Exact Mass333.97
IUPAC Name2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1ccc2oc(C(=O)Cc3cc(Br)cs3)cc2c1
InChIInChI=1S/C15H11BrO2S/c1-9-2-3-14-10(4-9)5-15(18-14)13(17)7-12-6-11(16)8-19-12/h2-6,8H,7H2,1H3
InChIKeyPZBIFPNLSDDLIC-UHFFFAOYSA-N
XLogP4.99
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105128836
2-(4-bromophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 114725515
2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114969436
1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448685
2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105102492
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
CID 115808102
1-(5-methyl-1-benzofuran-2-yl)-2-(propylamino)ethanone
CID 114736423
3-methyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808089
5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
CID 114737355
3,4,4-trimethyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808081
3-ethoxy-1-(5-methyl-1-benzofuran-2-yl)propan-1-one
CID 105131900

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone (CID 105092387) is 2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone is Cc1ccc2oc(C(=O)Cc3cc(Br)cs3)cc2c1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is PZBIFPNLSDDLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2S/c1-9-2-3-14-10(4-9)5-15(18-14)13(17)7-12-6-11(16)8-19-12/h2-6,8H,7H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone?
2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 335.22 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 105092387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).