(4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone

C15H11BrO2S — CID 107355103

IUPAC(4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)c3cc(Br)cs3)c(C)c2c1
InChIInChI=1S/C15H11BrO2S/c1-8-3-4-12-11(5-8)9(2)15(18-12)14(17)13-6-10(16)7-19-13/h3-7H,1-2H3
InChIKeyBOVDUGDSBZSDFT-UHFFFAOYSA-N
MW335.22 g/mol
LogP5.10
Rot. Bonds2

About (4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone

(4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone (PubChem CID 107355103) has the molecular formula C15H11BrO2S and a molecular weight of 335.22 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
PubChem CID107355103
Molecular FormulaC15H11BrO2S
Molecular Weight335.22 g/mol
Exact Mass333.97
IUPAC Name(4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)c3cc(Br)cs3)c(C)c2c1
InChIInChI=1S/C15H11BrO2S/c1-8-3-4-12-11(5-8)9(2)15(18-12)14(17)13-6-10(16)7-19-13/h3-7H,1-2H3
InChIKeyBOVDUGDSBZSDFT-UHFFFAOYSA-N
XLogP5.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.22
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 107355101
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 28880635
(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 43394206
(3-bromo-4-fluorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
CID 63545779
(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone
CID 113437676
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone
CID 28880631
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606800
(3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 113225600
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
CID 112723138
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone
CID 102949361
(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 102949358

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone (CID 107355103) is (4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone is Cc1ccc2oc(C(=O)c3cc(Br)cs3)c(C)c2c1.
What is the InChIKey of (4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone?
The InChIKey is BOVDUGDSBZSDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2S/c1-8-3-4-12-11(5-8)9(2)15(18-12)14(17)13-6-10(16)7-19-13/h3-7H,1-2H3.
What are the key properties of (4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone?
(4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone has a molecular weight of 335.22 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 107355103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).