(4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone

C12H11BrO2S — CID 102826505

IUPAC(4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)c2cc(Br)c(C)s2)o1
InChIInChI=1S/C12H11BrO2S/c1-3-8-4-5-10(15-8)12(14)11-6-9(13)7(2)16-11/h4-6H,3H2,1-2H3
InChIKeyXHTYSUSYJDENFN-UHFFFAOYSA-N
MW299.19 g/mol
LogP4.21
Rot. Bonds3

About (4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone

(4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone (PubChem CID 102826505) has the molecular formula C12H11BrO2S and a molecular weight of 299.19 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
PubChem CID102826505
Molecular FormulaC12H11BrO2S
Molecular Weight299.19 g/mol
Exact Mass297.97
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)c2cc(Br)c(C)s2)o1
InChIInChI=1S/C12H11BrO2S/c1-3-8-4-5-10(15-8)12(14)11-6-9(13)7(2)16-11/h4-6H,3H2,1-2H3
InChIKeyXHTYSUSYJDENFN-UHFFFAOYSA-N
XLogP4.21
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
CID 102762955
(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone
CID 102826534
(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 114973336
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821
methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate
CID 82884896
[4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone
CID 107332667
(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 102826520
1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone
CID 102826685
(4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone
CID 102826674
(3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 104656982
(5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 130770138
(3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone
CID 63194528

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone (CID 102826505) is (4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone is CCc1ccc(C(=O)c2cc(Br)c(C)s2)o1.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone?
The InChIKey is XHTYSUSYJDENFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2S/c1-3-8-4-5-10(15-8)12(14)11-6-9(13)7(2)16-11/h4-6H,3H2,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone?
(4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone has a molecular weight of 299.19 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone is sourced from PubChem (CID 102826505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).