4-(4-aminophenyl)furan-2-carboxylic acid

C11H9NO3 — CID 117223140

IUPAC4-(4-aminophenyl)furan-2-carboxylic acid
SMILESNc1ccc(-c2coc(C(=O)O)c2)cc1
InChIInChI=1S/C11H9NO3/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,12H2,(H,13,14)
InChIKeyOJXYOKDZPKGZFD-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.23
Rot. Bonds2

About 4-(4-aminophenyl)furan-2-carboxylic acid

4-(4-aminophenyl)furan-2-carboxylic acid (PubChem CID 117223140) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-(4-aminophenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-aminophenyl)furan-2-carboxylic acid
PubChem CID117223140
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name4-(4-aminophenyl)furan-2-carboxylic acid
SMILESNc1ccc(-c2coc(C(=O)O)c2)cc1
InChIInChI=1S/C11H9NO3/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,12H2,(H,13,14)
InChIKeyOJXYOKDZPKGZFD-UHFFFAOYSA-N
XLogP2.23
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-hydroxyphenyl)furan-2-carboxylic acid
CID 117222402
benzene-1,4-diamine;furan-2,5-dicarboxylic acid
CID 160946255
4-phenylfuran-2-carboxylate
CID 86317318
2-(4-aminophenyl)furan-3-carboxylic acid
CID 22177208
4-(4-aminophenyl)furan-3-carboxylic acid
CID 117223669
2-amino-3,5-bis(4-aminophenyl)benzoic acid
CID 157346350
[4-[4-(4-aminobenzoyl)phenyl]phenyl]-(4-aminophenyl)methanone
CID 14344374
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid
CID 23062503
4-(4-aminophenyl)-3-fluorobenzoic acid
CID 166791377
5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid
CID 117223058

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)furan-2-carboxylic acid?
The IUPAC name of 4-(4-aminophenyl)furan-2-carboxylic acid (CID 117223140) is 4-(4-aminophenyl)furan-2-carboxylic acid.
What is the SMILES notation for 4-(4-aminophenyl)furan-2-carboxylic acid?
The canonical SMILES for 4-(4-aminophenyl)furan-2-carboxylic acid is Nc1ccc(-c2coc(C(=O)O)c2)cc1.
What is the InChIKey of 4-(4-aminophenyl)furan-2-carboxylic acid?
The InChIKey is OJXYOKDZPKGZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,12H2,(H,13,14).
What are the key properties of 4-(4-aminophenyl)furan-2-carboxylic acid?
4-(4-aminophenyl)furan-2-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)furan-2-carboxylic acid is sourced from PubChem (CID 117223140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).