3-phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione

C19H17NO5 — CID 11681623

IUPAC3-phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cc(C2=C(c3ccccc3)C(=O)NC2=O)cc(OC)c1OC
InChIInChI=1S/C19H17NO5/c1-23-13-9-12(10-14(24-2)17(13)25-3)16-15(18(21)20-19(16)22)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,20,21,22)
InChIKeyXSDNMFXQWUKTIX-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.28
Rot. Bonds5

About 3-phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione

3-phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione (PubChem CID 11681623) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
PubChem CID11681623
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name3-phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cc(C2=C(c3ccccc3)C(=O)NC2=O)cc(OC)c1OC
InChIInChI=1S/C19H17NO5/c1-23-13-9-12(10-14(24-2)17(13)25-3)16-15(18(21)20-19(16)22)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,20,21,22)
InChIKeyXSDNMFXQWUKTIX-UHFFFAOYSA-N
XLogP2.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

T 686
CID 6438903
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CID 2253267
N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-(4-methoxyphenyl)acetamide
CID 4321627
(alphaE)-4-Hydroxy-alpha-((4-hydroxy-3-methoxyphenyl)methylene)-N-(2-(4-hydroxyphenyl)ethyl)-3,5-dimethoxybenzeneacetamide
CID 5321487
N-(3,4-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide
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2-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)acetamide
CID 1909740
1-[3-(3,4,5-Trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
CID 613753
N-Benzyl-3,4,5-trimethoxybenzamide
CID 736962
1-[2-(3,4-Dimethoxyphenyl)acetyl]-5-methyl-1,2-dihydropyridazine-3,6-dione
CID 670960
N-(cyclohexylmethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 2478929
N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2650216
3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2915951

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione (CID 11681623) is 3-phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione is COc1cc(C2=C(c3ccccc3)C(=O)NC2=O)cc(OC)c1OC.
What is the InChIKey of 3-phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The InChIKey is XSDNMFXQWUKTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-13-9-12(10-14(24-2)17(13)25-3)16-15(18(21)20-19(16)22)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of 3-phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
3-phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione has a molecular weight of 339.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 11681623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).