3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione

C24H19NO4 — CID 110584401

IUPAC3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(O)C(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1C
InChIInChI=1S/C24H19NO4/c1-15-8-9-17(14-16(15)2)21-22(26)24(28)25(23(21)27)18-10-12-20(13-11-18)29-19-6-4-3-5-7-19/h3-14,26H,1-2H3
InChIKeyPNYQIFVDTBIOQB-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.94
Rot. Bonds4

About 3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione

3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione (PubChem CID 110584401) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione
PubChem CID110584401
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(O)C(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1C
InChIInChI=1S/C24H19NO4/c1-15-8-9-17(14-16(15)2)21-22(26)24(28)25(23(21)27)18-10-12-20(13-11-18)29-19-6-4-3-5-7-19/h3-14,26H,1-2H3
InChIKeyPNYQIFVDTBIOQB-UHFFFAOYSA-N
XLogP4.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione
CID 110581921
3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584359
1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584393
1-(4-butylphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584373
1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584410
3-hydroxy-4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110580996
2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 765459
3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110581161
3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582432
3-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110550036
2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione
CID 168518344
3-[benzyl(methyl)amino]-4-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110550025

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione (CID 110584401) is 3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(O)C(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione?
The InChIKey is PNYQIFVDTBIOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-15-8-9-17(14-16(15)2)21-22(26)24(28)25(23(21)27)18-10-12-20(13-11-18)29-19-6-4-3-5-7-19/h3-14,26H,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione?
3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione has a molecular weight of 385.42 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110584401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).