(2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone

C12H12O2S — CID 114976095

IUPAC(2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2csc(C)c2)c(C)o1
InChIInChI=1S/C12H12O2S/c1-7-4-11(9(3)14-7)12(13)10-5-8(2)15-6-10/h4-6H,1-3H3
InChIKeyZEOFYUMNQIGTDL-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.50
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone

(2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone (PubChem CID 114976095) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone
PubChem CID114976095
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name(2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2csc(C)c2)c(C)o1
InChIInChI=1S/C12H12O2S/c1-7-4-11(9(3)14-7)12(13)10-5-8(2)15-6-10/h4-6H,1-3H3
InChIKeyZEOFYUMNQIGTDL-UHFFFAOYSA-N
XLogP3.50
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone
CID 79685758
(2-methylphenyl)-(5-methylthiophen-3-yl)methanone
CID 65099870
(2-iodophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976064
(4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 115784193
(2,4-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114975995
(4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 114877477
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463044
(2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 12750547
(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976021
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463798
(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 65099409
(2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone
CID 131181698

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone (CID 114976095) is (2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)c2csc(C)c2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is ZEOFYUMNQIGTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-7-4-11(9(3)14-7)12(13)10-5-8(2)15-6-10/h4-6H,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone?
(2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone has a molecular weight of 220.29 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 114976095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).