3-[[3-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione

C17H12FNO3 — CID 129234405

IUPAC3-[[3-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione
SMILESO=C1NC(=O)C(Cc2cccc(-c3ccc(F)cc3)c2)=C1O
InChIInChI=1S/C17H12FNO3/c18-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-14-15(20)17(22)19-16(14)21/h1-8H,9H2,(H2,19,20,21,22)
InChIKeyWUDWGUXTGMMYCV-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.50
Rot. Bonds3

About 3-[[3-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione

3-[[3-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione (PubChem CID 129234405) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name3-[[3-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione
PubChem CID129234405
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Name3-[[3-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione
SMILESO=C1NC(=O)C(Cc2cccc(-c3ccc(F)cc3)c2)=C1O
InChIInChI=1S/C17H12FNO3/c18-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-14-15(20)17(22)19-16(14)21/h1-8H,9H2,(H2,19,20,21,22)
InChIKeyWUDWGUXTGMMYCV-UHFFFAOYSA-N
XLogP2.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 3-[[3-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione (CID 129234405) is 3-[[3-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 3-[[3-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 3-[[3-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione is O=C1NC(=O)C(Cc2cccc(-c3ccc(F)cc3)c2)=C1O.
What is the InChIKey of 3-[[3-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione?
The InChIKey is WUDWGUXTGMMYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c18-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-14-15(20)17(22)19-16(14)21/h1-8H,9H2,(H2,19,20,21,22).
What are the key properties of 3-[[3-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione?
3-[[3-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione has a molecular weight of 297.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 129234405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).