methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate

C12H10O4S — CID 2739697

IUPACmethyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(C(C)=O)o1
InChIInChI=1S/C12H10O4S/c1-7(13)9-3-4-10(16-9)8-5-6-17-11(8)12(14)15-2/h3-6H,1-2H3
InChIKeyJXJPAXPTEHQKBJ-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.00
Rot. Bonds3

About methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate

methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate (PubChem CID 2739697) has the molecular formula C12H10O4S and a molecular weight of 250.27 g/mol. Its IUPAC name is methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate
PubChem CID2739697
Molecular FormulaC12H10O4S
Molecular Weight250.27 g/mol
Exact Mass250.03
IUPAC Namemethyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(C(C)=O)o1
InChIInChI=1S/C12H10O4S/c1-7(13)9-3-4-10(16-9)8-5-6-17-11(8)12(14)15-2/h3-6H,1-2H3
InChIKeyJXJPAXPTEHQKBJ-UHFFFAOYSA-N
XLogP3.00
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-5-(2-thienyl)-3-furancarboxylic acid
CID 2796026
1-Benzofuran-2-yl(2-thienyl)methanone
CID 684173
Dimethyl 2-({5-[2-(methoxycarbonyl)-3-thienyl]-2-furyl}methylidene)malonate
CID 2739709
Methyl 3-[5-(2-cyano-3-ethoxy-3-oxo-1-propenyl)-2-furyl]-2-thiophenecarboxylate
CID 5706931
Diethyl 2-({5-[2-(methoxycarbonyl)-3-thienyl]-2-furyl}methylene)malonate
CID 2764741
Methyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate
CID 2766449
[2-(4-Methoxyphenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2352477
[2-(1-Benzofuran-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2336432
2-(4-Methoxyphenyl)-2-oxoethyl thiophene-2-carboxylate
CID 2646399
5-Acetyl-3,4-di(2-furyl)thiophene-2-carboxylic acid
CID 2740001
[3-Butyl-5-(furan-2-yl)-7-methyl-6,8-dioxoisochromen-7-yl] thiophene-2-carboxylate
CID 16759504
4-Methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid
CID 7017814

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate (CID 2739697) is methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate is COC(=O)c1sccc1-c1ccc(C(C)=O)o1.
What is the InChIKey of methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate?
The InChIKey is JXJPAXPTEHQKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S/c1-7(13)9-3-4-10(16-9)8-5-6-17-11(8)12(14)15-2/h3-6H,1-2H3.
What are the key properties of methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate?
methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate has a molecular weight of 250.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 2739697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).