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

C17H12FNO3 — CID 129234525

IUPAC3-[[4-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione
SMILESO=C1NC(=O)C(Cc2ccc(-c3ccc(F)cc3)cc2)=C1O
InChIInChI=1S/C17H12FNO3/c18-13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14-15(20)17(22)19-16(14)21/h1-8H,9H2,(H2,19,20,21,22)
InChIKeyWMVRTYLUFSDQJC-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.50
Rot. Bonds3

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

3-[[4-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione (PubChem CID 129234525) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione
PubChem CID129234525
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Name3-[[4-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione
SMILESO=C1NC(=O)C(Cc2ccc(-c3ccc(F)cc3)cc2)=C1O
InChIInChI=1S/C17H12FNO3/c18-13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14-15(20)17(22)19-16(14)21/h1-8H,9H2,(H2,19,20,21,22)
InChIKeyWMVRTYLUFSDQJC-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-[[4-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 3-[[4-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione (CID 129234525) is 3-[[4-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 3-[[4-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione is O=C1NC(=O)C(Cc2ccc(-c3ccc(F)cc3)cc2)=C1O.
What is the InChIKey of 3-[[4-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione?
The InChIKey is WMVRTYLUFSDQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c18-13-7-5-12(6-8-13)11-3-1-10(2-4-11)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-[[4-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione?
3-[[4-(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-[[4-(4-fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 129234525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).