1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione

C21H21NO6 — CID 110582438

IUPAC1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)C2=O)cc1
InChIInChI=1S/C21H21NO6/c1-4-11-28-14-7-5-13(6-8-14)18-19(23)21(25)22(20(18)24)16-10-9-15(26-2)12-17(16)27-3/h5-10,12,23H,4,11H2,1-3H3
InChIKeyZZGWLXVFGTYXOM-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.34
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione

1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione (PubChem CID 110582438) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
PubChem CID110582438
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)C2=O)cc1
InChIInChI=1S/C21H21NO6/c1-4-11-28-14-7-5-13(6-8-14)18-19(23)21(25)22(20(18)24)16-10-9-15(26-2)12-17(16)27-3/h5-10,12,23H,4,11H2,1-3H3
InChIKeyZZGWLXVFGTYXOM-UHFFFAOYSA-N
XLogP3.34
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione
CID 110581247
3-hydroxy-4-(4-methoxyphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110580995
1-(2,4-dimethylphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582456
3-hydroxy-1-(2-methylphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582461
1-(2,5-dimethoxyphenyl)-3-hydroxy-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110584768
3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582432
1-(3-ethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582348
1-(3,4-difluorophenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582463
3-hydroxy-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110581255
1-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110547738
1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582359
1-(4-butylphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582426

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione (CID 110582438) is 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione is CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)C2=O)cc1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The InChIKey is ZZGWLXVFGTYXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-4-11-28-14-7-5-13(6-8-14)18-19(23)21(25)22(20(18)24)16-10-9-15(26-2)12-17(16)27-3/h5-10,12,23H,4,11H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione?
1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione has a molecular weight of 383.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110582438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).