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

C19H17NO5 — CID 110581509

IUPAC3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3)C2=O)cc1OC
InChIInChI=1S/C19H17NO5/c1-11-5-4-6-13(9-11)20-18(22)16(17(21)19(20)23)12-7-8-14(24-2)15(10-12)25-3/h4-10,21H,1-3H3
InChIKeyNQQXPZOQVQHIJR-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.85
Rot. Bonds4

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

3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione (PubChem CID 110581509) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione
PubChem CID110581509
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3)C2=O)cc1OC
InChIInChI=1S/C19H17NO5/c1-11-5-4-6-13(9-11)20-18(22)16(17(21)19(20)23)12-7-8-14(24-2)15(10-12)25-3/h4-10,21H,1-3H3
InChIKeyNQQXPZOQVQHIJR-UHFFFAOYSA-N
XLogP2.85
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110581416
1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584393
3-(3,4-dimethoxyphenyl)-4-(3,5-dimethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110597229
3-(3,4-dimethoxyphenyl)-4-(2,5-dimethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110597238
1-(4-butylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110581499
1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110581493
1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582313
3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110581161
1-(3,5-dimethylphenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580961
3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584359
1-(3,5-dimethylphenyl)-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581616
3-hydroxy-4-(4-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110581944

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione (CID 110581509) is 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione is COc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3)C2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione?
The InChIKey is NQQXPZOQVQHIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-11-5-4-6-13(9-11)20-18(22)16(17(21)19(20)23)12-7-8-14(24-2)15(10-12)25-3/h4-10,21H,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione?
3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione has a molecular weight of 339.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110581509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).