1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione

C20H19NO5 — CID 110584393

IUPAC1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(O)=C(c3ccc(C)c(C)c3)C2=O)cc1OC
InChIInChI=1S/C20H19NO5/c1-11-5-6-13(9-12(11)2)17-18(22)20(24)21(19(17)23)14-7-8-15(25-3)16(10-14)26-4/h5-10,22H,1-4H3
InChIKeyFLXJTVBJEOFATM-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.16
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione

1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione (PubChem CID 110584393) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
PubChem CID110584393
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(O)=C(c3ccc(C)c(C)c3)C2=O)cc1OC
InChIInChI=1S/C20H19NO5/c1-11-5-6-13(9-12(11)2)17-18(22)20(24)21(19(17)23)14-7-8-15(25-3)16(10-14)26-4/h5-10,22H,1-4H3
InChIKeyFLXJTVBJEOFATM-UHFFFAOYSA-N
XLogP3.16
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.16
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

3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110581509
1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582313
3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584359
1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110581493
3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione
CID 110584401
1-(4-butylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110581499
3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110581416
3-[benzyl(methyl)amino]-1-(3,4-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110550452
1-(3-chloro-4-methoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580965
1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584410
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584311
1-(4-butylphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584373

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione (CID 110584393) is 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione is COc1ccc(N2C(=O)C(O)=C(c3ccc(C)c(C)c3)C2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione?
The InChIKey is FLXJTVBJEOFATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-11-5-6-13(9-12(11)2)17-18(22)20(24)21(19(17)23)14-7-8-15(25-3)16(10-14)26-4/h5-10,22H,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione?
1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione has a molecular weight of 353.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 110584393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).