2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid

C13H10O6 — CID 2264893

IUPAC2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
SMILESCOc1ccc(-c2occ(C(=O)O)c2C(=O)O)cc1
InChIInChI=1S/C13H10O6/c1-18-8-4-2-7(3-5-8)11-10(13(16)17)9(6-19-11)12(14)15/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyQPGWVRKHYHUXOV-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.35
Rot. Bonds4

About 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid

2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid (PubChem CID 2264893) has the molecular formula C13H10O6 and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
PubChem CID2264893
Molecular FormulaC13H10O6
Molecular Weight262.22 g/mol
Exact Mass262.05
IUPAC Name2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
SMILESCOc1ccc(-c2occ(C(=O)O)c2C(=O)O)cc1
InChIInChI=1S/C13H10O6/c1-18-8-4-2-7(3-5-8)11-10(13(16)17)9(6-19-11)12(14)15/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyQPGWVRKHYHUXOV-UHFFFAOYSA-N
XLogP2.35
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid (CID 2264893) is 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid is COc1ccc(-c2occ(C(=O)O)c2C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid?
The InChIKey is QPGWVRKHYHUXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O6/c1-18-8-4-2-7(3-5-8)11-10(13(16)17)9(6-19-11)12(14)15/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid?
2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid has a molecular weight of 262.22 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid is sourced from PubChem (CID 2264893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).