3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

C17H15NO5 — CID 162403470

IUPAC3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(c3ccc(O)cc3O)C2=O)cc1
InChIInChI=1S/C17H15NO5/c1-23-12-5-2-10(3-6-12)18-16(21)9-14(17(18)22)13-7-4-11(19)8-15(13)20/h2-8,14,19-20H,9H2,1H3
InChIKeyAKZAOZLUSMUAKV-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.15
Rot. Bonds3

About 3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 162403470) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID162403470
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(c3ccc(O)cc3O)C2=O)cc1
InChIInChI=1S/C17H15NO5/c1-23-12-5-2-10(3-6-12)18-16(21)9-14(17(18)22)13-7-4-11(19)8-15(13)20/h2-8,14,19-20H,9H2,1H3
InChIKeyAKZAOZLUSMUAKV-UHFFFAOYSA-N
XLogP2.15
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 6925332
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 102380691
2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 1213098
(3R)-1-(3-methoxyphenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione
CID 908648
(3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione
CID 101365658
1-(4-methoxyphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 2732615
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
(3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 932254
[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]carbamimidothioate
CID 136732715
[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamimidothioate
CID 135613344
(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 822055

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (CID 162403470) is 3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(c3ccc(O)cc3O)C2=O)cc1.
What is the InChIKey of 3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is AKZAOZLUSMUAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-23-12-5-2-10(3-6-12)18-16(21)9-14(17(18)22)13-7-4-11(19)8-15(13)20/h2-8,14,19-20H,9H2,1H3.
What are the key properties of 3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 313.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 162403470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).