3-[5-(furan-3-yl)thiophen-2-yl]propanoic acid

C11H10O3S — CID 91585711

IUPAC3-[5-(furan-3-yl)thiophen-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccoc2)s1
InChIInChI=1S/C11H10O3S/c12-11(13)4-2-9-1-3-10(15-9)8-5-6-14-7-8/h1,3,5-7H,2,4H2,(H,12,13)
InChIKeyMUMUMXYWNRQICF-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.03
Rot. Bonds4

About 3-[5-(furan-3-yl)thiophen-2-yl]propanoic acid

3-[5-(furan-3-yl)thiophen-2-yl]propanoic acid (PubChem CID 91585711) has the molecular formula C11H10O3S and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-[5-(furan-3-yl)thiophen-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(furan-3-yl)thiophen-2-yl]propanoic acid
PubChem CID91585711
Molecular FormulaC11H10O3S
Molecular Weight222.26 g/mol
Exact Mass222.04
IUPAC Name3-[5-(furan-3-yl)thiophen-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccoc2)s1
InChIInChI=1S/C11H10O3S/c12-11(13)4-2-9-1-3-10(15-9)8-5-6-14-7-8/h1,3,5-7H,2,4H2,(H,12,13)
InChIKeyMUMUMXYWNRQICF-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 ≤ 500222.26
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-(furan-3-yl)thiophen-2-yl]propanoic acid?
The IUPAC name of 3-[5-(furan-3-yl)thiophen-2-yl]propanoic acid (CID 91585711) is 3-[5-(furan-3-yl)thiophen-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(furan-3-yl)thiophen-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(furan-3-yl)thiophen-2-yl]propanoic acid is O=C(O)CCc1ccc(-c2ccoc2)s1.
What is the InChIKey of 3-[5-(furan-3-yl)thiophen-2-yl]propanoic acid?
The InChIKey is MUMUMXYWNRQICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c12-11(13)4-2-9-1-3-10(15-9)8-5-6-14-7-8/h1,3,5-7H,2,4H2,(H,12,13).
What are the key properties of 3-[5-(furan-3-yl)thiophen-2-yl]propanoic acid?
3-[5-(furan-3-yl)thiophen-2-yl]propanoic acid has a molecular weight of 222.26 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-(furan-3-yl)thiophen-2-yl]propanoic acid is sourced from PubChem (CID 91585711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).