2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid

C16H11FO4 — CID 14303494

IUPAC2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid
SMILESO=C(O)CC1(c2ccccc2)C(=O)Oc2ccc(F)cc21
InChIInChI=1S/C16H11FO4/c17-11-6-7-13-12(8-11)16(9-14(18)19,15(20)21-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeyTZARIQMIXCSZFN-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.51
Rot. Bonds3

About 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid

2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid (PubChem CID 14303494) has the molecular formula C16H11FO4 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid
PubChem CID14303494
Molecular FormulaC16H11FO4
Molecular Weight286.26 g/mol
Exact Mass286.06
IUPAC Name2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid
SMILESO=C(O)CC1(c2ccccc2)C(=O)Oc2ccc(F)cc21
InChIInChI=1S/C16H11FO4/c17-11-6-7-13-12(8-11)16(9-14(18)19,15(20)21-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeyTZARIQMIXCSZFN-UHFFFAOYSA-N
XLogP2.51
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid (CID 14303494) is 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid is O=C(O)CC1(c2ccccc2)C(=O)Oc2ccc(F)cc21.
What is the InChIKey of 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid?
The InChIKey is TZARIQMIXCSZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO4/c17-11-6-7-13-12(8-11)16(9-14(18)19,15(20)21-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19).
What are the key properties of 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid?
2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid has a molecular weight of 286.26 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid is sourced from PubChem (CID 14303494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).