4-fluoro-2-phenyl-3H-1-benzofuran-2-carboxylic acid

C15H11FO3 — CID 117045819

IUPAC4-fluoro-2-phenyl-3H-1-benzofuran-2-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)Cc2c(F)cccc2O1
InChIInChI=1S/C15H11FO3/c16-12-7-4-8-13-11(12)9-15(19-13,14(17)18)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
InChIKeyKHDPKHSTIWGJLP-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.74
Rot. Bonds2

About 4-fluoro-2-phenyl-3H-1-benzofuran-2-carboxylic acid

4-fluoro-2-phenyl-3H-1-benzofuran-2-carboxylic acid (PubChem CID 117045819) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is 4-fluoro-2-phenyl-3H-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-2-phenyl-3H-1-benzofuran-2-carboxylic acid
PubChem CID117045819
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name4-fluoro-2-phenyl-3H-1-benzofuran-2-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)Cc2c(F)cccc2O1
InChIInChI=1S/C15H11FO3/c16-12-7-4-8-13-11(12)9-15(19-13,14(17)18)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
InChIKeyKHDPKHSTIWGJLP-UHFFFAOYSA-N
XLogP2.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-phenyl-3H-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-fluoro-2-phenyl-3H-1-benzofuran-2-carboxylic acid (CID 117045819) is 4-fluoro-2-phenyl-3H-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-2-phenyl-3H-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-fluoro-2-phenyl-3H-1-benzofuran-2-carboxylic acid is O=C(O)C1(c2ccccc2)Cc2c(F)cccc2O1.
What is the InChIKey of 4-fluoro-2-phenyl-3H-1-benzofuran-2-carboxylic acid?
The InChIKey is KHDPKHSTIWGJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3/c16-12-7-4-8-13-11(12)9-15(19-13,14(17)18)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18).
What are the key properties of 4-fluoro-2-phenyl-3H-1-benzofuran-2-carboxylic acid?
4-fluoro-2-phenyl-3H-1-benzofuran-2-carboxylic acid has a molecular weight of 258.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-phenyl-3H-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 117045819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).