2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid

C15H9FO3 — CID 154212021

IUPAC2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C15H9FO3/c16-10-7-5-9(6-8-10)14-13(15(17)18)11-3-1-2-4-12(11)19-14/h1-8H,(H,17,18)
InChIKeyFBMUEJYHHCHTEU-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.94
Rot. Bonds2

About 2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid

2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid (PubChem CID 154212021) has the molecular formula C15H9FO3 and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
PubChem CID154212021
Molecular FormulaC15H9FO3
Molecular Weight256.23 g/mol
Exact Mass256.05
IUPAC Name2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C15H9FO3/c16-10-7-5-9(6-8-10)14-13(15(17)18)11-3-1-2-4-12(11)19-14/h1-8H,(H,17,18)
InChIKeyFBMUEJYHHCHTEU-UHFFFAOYSA-N
XLogP3.94
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid (CID 154212021) is 2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid is O=C(O)c1c(-c2ccc(F)cc2)oc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid?
The InChIKey is FBMUEJYHHCHTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FO3/c16-10-7-5-9(6-8-10)14-13(15(17)18)11-3-1-2-4-12(11)19-14/h1-8H,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid?
2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid has a molecular weight of 256.23 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 154212021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).