5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid

C12H12O4S — CID 83171009

IUPAC5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid
SMILESCCc1cc(OCc2ccoc2)c(C(=O)O)s1
InChIInChI=1S/C12H12O4S/c1-2-9-5-10(11(17-9)12(13)14)16-7-8-3-4-15-6-8/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyWAYFNEPELPYIMS-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.18
Rot. Bonds5

About 5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid

5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid (PubChem CID 83171009) has the molecular formula C12H12O4S and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid
PubChem CID83171009
Molecular FormulaC12H12O4S
Molecular Weight252.29 g/mol
Exact Mass252.05
IUPAC Name5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid
SMILESCCc1cc(OCc2ccoc2)c(C(=O)O)s1
InChIInChI=1S/C12H12O4S/c1-2-9-5-10(11(17-9)12(13)14)16-7-8-3-4-15-6-8/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyWAYFNEPELPYIMS-UHFFFAOYSA-N
XLogP3.18
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid?
The IUPAC name of 5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid (CID 83171009) is 5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid is CCc1cc(OCc2ccoc2)c(C(=O)O)s1.
What is the InChIKey of 5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid?
The InChIKey is WAYFNEPELPYIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4S/c1-2-9-5-10(11(17-9)12(13)14)16-7-8-3-4-15-6-8/h3-6H,2,7H2,1H3,(H,13,14).
What are the key properties of 5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid?
5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 83171009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).