1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione

C20H18FNO5 — CID 110582980

IUPAC1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione
SMILESCCOc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)C2=O)cc1OCC
InChIInChI=1S/C20H18FNO5/c1-3-26-15-10-9-14(11-16(15)27-4-2)22-19(24)17(18(23)20(22)25)12-5-7-13(21)8-6-12/h5-11,23H,3-4H2,1-2H3
InChIKeyWYZYKXSLQVAVQD-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.47
Rot. Bonds6

About 1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione

1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione (PubChem CID 110582980) has the molecular formula C20H18FNO5 and a molecular weight of 371.36 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione
PubChem CID110582980
Molecular FormulaC20H18FNO5
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione
SMILESCCOc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)C2=O)cc1OCC
InChIInChI=1S/C20H18FNO5/c1-3-26-15-10-9-14(11-16(15)27-4-2)22-19(24)17(18(23)20(22)25)12-5-7-13(21)8-6-12/h5-11,23H,3-4H2,1-2H3
InChIKeyWYZYKXSLQVAVQD-UHFFFAOYSA-N
XLogP3.47
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-diethoxyphenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110583377
1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110545716
1-(3,4-difluorophenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582463
3-(4-ethoxyphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110583267
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110583357
1-(4-ethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582293
4-[3-(4-ethoxyphenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110583383
1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione
CID 2117405
1-(3-ethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582348
4-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110582986
1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584393
1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110561726

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione (CID 110582980) is 1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione is CCOc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)C2=O)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione?
The InChIKey is WYZYKXSLQVAVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO5/c1-3-26-15-10-9-14(11-16(15)27-4-2)22-19(24)17(18(23)20(22)25)12-5-7-13(21)8-6-12/h5-11,23H,3-4H2,1-2H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione?
1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione has a molecular weight of 371.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 110582980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).