3-(5-thiophen-2-ylfuran-2-yl)propanoic acid

C11H10O3S — CID 709558

IUPAC3-(5-thiophen-2-ylfuran-2-yl)propanoic acid
SMILESO=C(O)CCc1ccc(-c2cccs2)o1
InChIInChI=1S/C11H10O3S/c12-11(13)6-4-8-3-5-9(14-8)10-2-1-7-15-10/h1-3,5,7H,4,6H2,(H,12,13)
InChIKeyADIPPCCQUCTDJD-UHFFFAOYSA-N
MW222.27 g/mol
LogP3.03
Rot. Bonds4

About 3-(5-thiophen-2-ylfuran-2-yl)propanoic acid

3-(5-thiophen-2-ylfuran-2-yl)propanoic acid (PubChem CID 709558) has the molecular formula C11H10O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-(5-thiophen-2-ylfuran-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-thiophen-2-ylfuran-2-yl)propanoic acid
PubChem CID709558
Molecular FormulaC11H10O3S
Molecular Weight222.27 g/mol
Exact Mass222.04
IUPAC Name3-(5-thiophen-2-ylfuran-2-yl)propanoic acid
SMILESO=C(O)CCc1ccc(-c2cccs2)o1
InChIInChI=1S/C11H10O3S/c12-11(13)6-4-8-3-5-9(14-8)10-2-1-7-15-10/h1-3,5,7H,4,6H2,(H,12,13)
InChIKeyADIPPCCQUCTDJD-UHFFFAOYSA-N
XLogP3.03
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-thiophen-2-ylfuran-2-yl)propanoic acid?
The IUPAC name of 3-(5-thiophen-2-ylfuran-2-yl)propanoic acid (CID 709558) is 3-(5-thiophen-2-ylfuran-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-thiophen-2-ylfuran-2-yl)propanoic acid?
The canonical SMILES for 3-(5-thiophen-2-ylfuran-2-yl)propanoic acid is O=C(O)CCc1ccc(-c2cccs2)o1.
What is the InChIKey of 3-(5-thiophen-2-ylfuran-2-yl)propanoic acid?
The InChIKey is ADIPPCCQUCTDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c12-11(13)6-4-8-3-5-9(14-8)10-2-1-7-15-10/h1-3,5,7H,4,6H2,(H,12,13).
What are the key properties of 3-(5-thiophen-2-ylfuran-2-yl)propanoic acid?
3-(5-thiophen-2-ylfuran-2-yl)propanoic acid has a molecular weight of 222.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-thiophen-2-ylfuran-2-yl)propanoic acid is sourced from PubChem (CID 709558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).