(4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone

C11H9BrO2S — CID 115784193

IUPAC(4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2cscc2Br)c(C)o1
InChIInChI=1S/C11H9BrO2S/c1-6-3-8(7(2)14-6)11(13)9-4-15-5-10(9)12/h3-5H,1-2H3
InChIKeyNMZICXSMOGCTIR-UHFFFAOYSA-N
MW285.16 g/mol
LogP3.95
Rot. Bonds2

About (4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone

(4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 115784193) has the molecular formula C11H9BrO2S and a molecular weight of 285.16 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
PubChem CID115784193
Molecular FormulaC11H9BrO2S
Molecular Weight285.16 g/mol
Exact Mass283.95
IUPAC Name(4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2cscc2Br)c(C)o1
InChIInChI=1S/C11H9BrO2S/c1-6-3-8(7(2)14-6)11(13)9-4-15-5-10(9)12/h3-5H,1-2H3
InChIKeyNMZICXSMOGCTIR-UHFFFAOYSA-N
XLogP3.95
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463533
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone
CID 115784127
(2-amino-5-methylphenyl)-(4-bromothiophen-3-yl)methanone
CID 116581434
5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 62381370
(2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone
CID 114976095
(3-amino-5-bromo-2-methylphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 107874180
(2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone
CID 105116061
(2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone
CID 131181698
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463798
(5-bromofuran-2-yl)-(4-bromothiophen-3-yl)methanone
CID 115784104
(2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone
CID 79685758
(3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 114249206

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of (4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone (CID 115784193) is (4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)c2cscc2Br)c(C)o1.
What is the InChIKey of (4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is NMZICXSMOGCTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2S/c1-6-3-8(7(2)14-6)11(13)9-4-15-5-10(9)12/h3-5H,1-2H3.
What are the key properties of (4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone?
(4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 285.16 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 115784193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).