3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid

C15H12FNO4 — CID 60991955

IUPAC3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid
SMILESO=C(O)C1(Nc2ccc(F)cc2)COc2cc(O)ccc21
InChIInChI=1S/C15H12FNO4/c16-9-1-3-10(4-2-9)17-15(14(19)20)8-21-13-7-11(18)5-6-12(13)15/h1-7,17-18H,8H2,(H,19,20)
InChIKeyRSRACROKRKLEPQ-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.32
Rot. Bonds3

About 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid

3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid (PubChem CID 60991955) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid
PubChem CID60991955
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid
SMILESO=C(O)C1(Nc2ccc(F)cc2)COc2cc(O)ccc21
InChIInChI=1S/C15H12FNO4/c16-9-1-3-10(4-2-9)17-15(14(19)20)8-21-13-7-11(18)5-6-12(13)15/h1-7,17-18H,8H2,(H,19,20)
InChIKeyRSRACROKRKLEPQ-UHFFFAOYSA-N
XLogP2.32
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60986977
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CID 60990182
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CID 60992213
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CID 60994613
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid?
The IUPAC name of 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid (CID 60991955) is 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid is O=C(O)C1(Nc2ccc(F)cc2)COc2cc(O)ccc21.
What is the InChIKey of 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid?
The InChIKey is RSRACROKRKLEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c16-9-1-3-10(4-2-9)17-15(14(19)20)8-21-13-7-11(18)5-6-12(13)15/h1-7,17-18H,8H2,(H,19,20).
What are the key properties of 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid?
3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid has a molecular weight of 289.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 60991955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).