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

C21H21NO6 — CID 110582313

IUPAC1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC(C)C)cc3)C2=O)cc1OC
InChIInChI=1S/C21H21NO6/c1-12(2)28-15-8-5-13(6-9-15)18-19(23)21(25)22(20(18)24)14-7-10-16(26-3)17(11-14)27-4/h5-12,23H,1-4H3
InChIKeyPRZDASMQKMSONK-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.33
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110582313) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
PubChem CID110582313
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC(C)C)cc3)C2=O)cc1OC
InChIInChI=1S/C21H21NO6/c1-12(2)28-15-8-5-13(6-9-15)18-19(23)21(25)22(20(18)24)14-7-10-16(26-3)17(11-14)27-4/h5-12,23H,1-4H3
InChIKeyPRZDASMQKMSONK-UHFFFAOYSA-N
XLogP3.33
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.33
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

3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582215
1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584393
1-(3-chlorophenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582302
1-(3-chloro-4-methoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580965
1-(4-ethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582293
3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110581509
1-(3,4-diethoxyphenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110583377
3-hydroxy-4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110580996
1-(2,5-difluorophenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582334
3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110581416
3-(2,5-dimethoxyanilino)-4-phenyl-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110595679
1-(3,5-dimethylphenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580961

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110582313) is 1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is COc1ccc(N2C(=O)C(O)=C(c3ccc(OC(C)C)cc3)C2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The InChIKey is PRZDASMQKMSONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-12(2)28-15-8-5-13(6-9-15)18-19(23)21(25)22(20(18)24)14-7-10-16(26-3)17(11-14)27-4/h5-12,23H,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 383.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110582313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).