methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate

C11H10O3S — CID 103172987

IUPACmethyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1-c1ccoc1
InChIInChI=1S/C11H10O3S/c1-7-6-15-10(11(12)13-2)9(7)8-3-4-14-5-8/h3-6H,1-2H3
InChIKeyYZZVRUXZQYFIQQ-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.10
Rot. Bonds2

About methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate

methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate (PubChem CID 103172987) has the molecular formula C11H10O3S and a molecular weight of 222.26 g/mol. Its IUPAC name is methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate
PubChem CID103172987
Molecular FormulaC11H10O3S
Molecular Weight222.26 g/mol
Exact Mass222.04
IUPAC Namemethyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1-c1ccoc1
InChIInChI=1S/C11H10O3S/c1-7-6-15-10(11(12)13-2)9(7)8-3-4-14-5-8/h3-6H,1-2H3
InChIKeyYZZVRUXZQYFIQQ-UHFFFAOYSA-N
XLogP3.10
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate
CID 103172898
methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172925
methyl 3-[4-(difluoromethylsulfanyl)phenyl]-4-methylthiophene-2-carboxylate
CID 103172914
methyl 3-(2,3-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxylate
CID 107514017
methyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate
CID 114197753
methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate
CID 103173087
methyl 3-(2,3-dichlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172901
methyl 3-(5-bromo-3-methyltriazol-4-yl)-4-methylthiophene-2-carboxylate
CID 106463173
methyl 3-(4,5-dimethyl-6-oxo-1H-pyridazin-3-yl)-4-methylthiophene-2-carboxylate
CID 106522809
methyl 4-iodo-3-(4-iodo-2-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
CID 56694840
methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate
CID 103173159
methyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate
CID 103173186

Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate (CID 103172987) is methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1-c1ccoc1.
What is the InChIKey of methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate?
The InChIKey is YZZVRUXZQYFIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c1-7-6-15-10(11(12)13-2)9(7)8-3-4-14-5-8/h3-6H,1-2H3.
What are the key properties of methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate?
methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate has a molecular weight of 222.26 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 103172987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).