3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione

C21H21NO6 — CID 46185200

IUPAC3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C21H21NO6/c1-22-20(23)17(12-6-8-14(25-2)9-7-12)18(21(22)24)13-10-15(26-3)19(28-5)16(11-13)27-4/h6-11H,1-5H3
InChIKeyGJXQKSQWERLUKB-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.63
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione

3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione (PubChem CID 46185200) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
PubChem CID46185200
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C21H21NO6/c1-22-20(23)17(12-6-8-14(25-2)9-7-12)18(21(22)24)13-10-15(26-3)19(28-5)16(11-13)27-4/h6-11H,1-5H3
InChIKeyGJXQKSQWERLUKB-UHFFFAOYSA-N
XLogP2.63
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione (CID 46185200) is 3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione is COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)N(C)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The InChIKey is GJXQKSQWERLUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-22-20(23)17(12-6-8-14(25-2)9-7-12)18(21(22)24)13-10-15(26-3)19(28-5)16(11-13)27-4/h6-11H,1-5H3.
What are the key properties of 3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione has a molecular weight of 383.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 46185200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).