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

C20H19NO7 — CID 46184927

IUPAC1-hydroxy-3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)N(O)C2=O)cc1
InChIInChI=1S/C20H19NO7/c1-25-13-7-5-11(6-8-13)16-17(20(23)21(24)19(16)22)12-9-14(26-2)18(28-4)15(10-12)27-3/h5-10,24H,1-4H3
InChIKeyUJRAHXAQWRDKEF-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.39
Rot. Bonds6

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

1-hydroxy-3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione (PubChem CID 46184927) has the molecular formula C20H19NO7 and a molecular weight of 385.37 g/mol. Its IUPAC name is 1-hydroxy-3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-hydroxy-3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
PubChem CID46184927
Molecular FormulaC20H19NO7
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name1-hydroxy-3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)N(O)C2=O)cc1
InChIInChI=1S/C20H19NO7/c1-25-13-7-5-11(6-8-13)16-17(20(23)21(24)19(16)22)12-9-14(26-2)18(28-4)15(10-12)27-3/h5-10,24H,1-4H3
InChIKeyUJRAHXAQWRDKEF-UHFFFAOYSA-N
XLogP2.39
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'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 1-hydroxy-3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-hydroxy-3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione (CID 46184927) is 1-hydroxy-3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-hydroxy-3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-hydroxy-3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione is COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)N(O)C2=O)cc1.
What is the InChIKey of 1-hydroxy-3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The InChIKey is UJRAHXAQWRDKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO7/c1-25-13-7-5-11(6-8-13)16-17(20(23)21(24)19(16)22)12-9-14(26-2)18(28-4)15(10-12)27-3/h5-10,24H,1-4H3.
What are the key properties of 1-hydroxy-3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
1-hydroxy-3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione has a molecular weight of 385.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 46184927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).