3-(4-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione

C31H26FNO4 — CID 141471069

IUPAC3-(4-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESO=C1C(c2ccc(O)cc2)C(c2ccc(F)cc2)C(=O)N1CCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H26FNO4/c32-25-15-11-21(12-16-25)27-28(22-13-17-26(34)18-14-22)30(36)33(29(27)35)20-19-31(37,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-18,27-28,34,37H,19-20H2
InChIKeyPJRRPVUWMFGMRK-UHFFFAOYSA-N
MW495.55 g/mol
LogP5.09
Rot. Bonds7

About 3-(4-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione

3-(4-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione (PubChem CID 141471069) has the molecular formula C31H26FNO4 and a molecular weight of 495.55 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione
PubChem CID141471069
Molecular FormulaC31H26FNO4
Molecular Weight495.55 g/mol
Exact Mass495.18
IUPAC Name3-(4-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESO=C1C(c2ccc(O)cc2)C(c2ccc(F)cc2)C(=O)N1CCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H26FNO4/c32-25-15-11-21(12-16-25)27-28(22-13-17-26(34)18-14-22)30(36)33(29(27)35)20-19-31(37,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-18,27-28,34,37H,19-20H2
InChIKeyPJRRPVUWMFGMRK-UHFFFAOYSA-N
XLogP5.09
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.55
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione (CID 141471069) is 3-(4-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione is O=C1C(c2ccc(O)cc2)C(c2ccc(F)cc2)C(=O)N1CCC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is PJRRPVUWMFGMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FNO4/c32-25-15-11-21(12-16-25)27-28(22-13-17-26(34)18-14-22)30(36)33(29(27)35)20-19-31(37,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-18,27-28,34,37H,19-20H2.
What are the key properties of 3-(4-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione?
3-(4-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 495.55 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 141471069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).