5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid

C12H8O6 — CID 57339526

IUPAC5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(O)c(C(=O)O)c2)o1
InChIInChI=1S/C12H8O6/c13-8-2-1-6(5-7(8)11(14)15)9-3-4-10(18-9)12(16)17/h1-5,13H,(H,14,15)(H,16,17)
InChIKeyIMCGUYIXYODOKI-UHFFFAOYSA-N
MW248.19 g/mol
LogP2.05
Rot. Bonds3

About 5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid

5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid (PubChem CID 57339526) has the molecular formula C12H8O6 and a molecular weight of 248.19 g/mol. Its IUPAC name is 5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid
PubChem CID57339526
Molecular FormulaC12H8O6
Molecular Weight248.19 g/mol
Exact Mass248.03
IUPAC Name5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(O)c(C(=O)O)c2)o1
InChIInChI=1S/C12H8O6/c13-8-2-1-6(5-7(8)11(14)15)9-3-4-10(18-9)12(16)17/h1-5,13H,(H,14,15)(H,16,17)
InChIKeyIMCGUYIXYODOKI-UHFFFAOYSA-N
XLogP2.05
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-[(1E,4E)-5-[5-(3-carboxy-4-hydroxyphenyl)furan-2-yl]-3-oxopenta-1,4-dienyl]furan-2-yl]-2-hydroxybenzoic acid
CID 54590065
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
cyclopenta[b]pyran-2-carboxylic acid
CID 141029031
5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 28670286
2-hydroxy-5-[5-[(E)-(2-oxocyclopentylidene)methyl]furan-2-yl]benzoic acid
CID 168893652
5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid
CID 91687982
5-(3-cyano-4-fluorophenyl)furan-2-carboxylic acid
CID 58985443
5-(4-amino-3-nitrophenyl)furan-2-carboxylic acid
CID 68606562
2-hydroxy-5-(4-nitrophenyl)benzoic acid
CID 69207175
5-(3-nitrosophenyl)furan-2-carboxylic acid
CID 144711483
5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid
CID 152990404
2-chloro-5-[5-(piperidine-1-carbothioyl)furan-2-yl]benzoic acid
CID 126210364

Frequently Asked Questions

What is the IUPAC name of 5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid (CID 57339526) is 5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(O)c(C(=O)O)c2)o1.
What is the InChIKey of 5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid?
The InChIKey is IMCGUYIXYODOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O6/c13-8-2-1-6(5-7(8)11(14)15)9-3-4-10(18-9)12(16)17/h1-5,13H,(H,14,15)(H,16,17).
What are the key properties of 5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid?
5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid has a molecular weight of 248.19 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid is sourced from PubChem (CID 57339526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).