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

C18H15NO5 — CID 110581247

IUPAC1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(O)=C(c3ccccc3)C2=O)c(OC)c1
InChIInChI=1S/C18H15NO5/c1-23-12-8-9-13(14(10-12)24-2)19-17(21)15(16(20)18(19)22)11-6-4-3-5-7-11/h3-10,20H,1-2H3
InChIKeyYTAFTHYVMDAONN-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.55
Rot. Bonds4

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

1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione (PubChem CID 110581247) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione
PubChem CID110581247
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(O)=C(c3ccccc3)C2=O)c(OC)c1
InChIInChI=1S/C18H15NO5/c1-23-12-8-9-13(14(10-12)24-2)19-17(21)15(16(20)18(19)22)11-6-4-3-5-7-11/h3-10,20H,1-2H3
InChIKeyYTAFTHYVMDAONN-UHFFFAOYSA-N
XLogP2.55
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.55
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

1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582438
3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110581161
1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561291
3-hydroxy-4-(4-methoxyphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110580995
1-(2,4-dimethoxyphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110595630
3-hydroxy-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110581253
1-(2,5-dimethoxyphenyl)-3-hydroxy-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110584768
3-hydroxy-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110581255
1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110581015
1-(3-chloro-4-methoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580965
1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110560804
1-(3,5-dimethylphenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580961

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione (CID 110581247) is 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione is COc1ccc(N2C(=O)C(O)=C(c3ccccc3)C2=O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione?
The InChIKey is YTAFTHYVMDAONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-23-12-8-9-13(14(10-12)24-2)19-17(21)15(16(20)18(19)22)11-6-4-3-5-7-11/h3-10,20H,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione?
1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione has a molecular weight of 325.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110581247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).