2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid

C10H8O6 — CID 177309811

IUPAC2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid
SMILESO=C(O)C1=CCC(C(=O)O)(c2ccco2)O1
InChIInChI=1S/C10H8O6/c11-8(12)6-3-4-10(16-6,9(13)14)7-2-1-5-15-7/h1-3,5H,4H2,(H,11,12)(H,13,14)
InChIKeyZDFZUKRTQCOTDE-UHFFFAOYSA-N
MW224.17 g/mol
LogP0.95
Rot. Bonds3

About 2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid

2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid (PubChem CID 177309811) has the molecular formula C10H8O6 and a molecular weight of 224.17 g/mol. Its IUPAC name is 2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid
PubChem CID177309811
Molecular FormulaC10H8O6
Molecular Weight224.17 g/mol
Exact Mass224.03
IUPAC Name2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid
SMILESO=C(O)C1=CCC(C(=O)O)(c2ccco2)O1
InChIInChI=1S/C10H8O6/c11-8(12)6-3-4-10(16-6,9(13)14)7-2-1-5-15-7/h1-3,5H,4H2,(H,11,12)(H,13,14)
InChIKeyZDFZUKRTQCOTDE-UHFFFAOYSA-N
XLogP0.95
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid
CID 62388314
furan-2-carboxylic acid;methanamine
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CID 112710161
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;silver
CID 87285311
2-[3-(furan-2-yl)-1-methylpyrrolidin-3-yl]acetic acid
CID 83820589
2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
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furan-2-carboxylic acid;methanol
CID 70611195

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid?
The IUPAC name of 2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid (CID 177309811) is 2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid is O=C(O)C1=CCC(C(=O)O)(c2ccco2)O1.
What is the InChIKey of 2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid?
The InChIKey is ZDFZUKRTQCOTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O6/c11-8(12)6-3-4-10(16-6,9(13)14)7-2-1-5-15-7/h1-3,5H,4H2,(H,11,12)(H,13,14).
What are the key properties of 2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid?
2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid has a molecular weight of 224.17 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3H-furan-2,5-dicarboxylic acid is sourced from PubChem (CID 177309811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).