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

C17H13NO4 — CID 110581161

IUPAC3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione
SMILESCOc1cccc(N2C(=O)C(O)=C(c3ccccc3)C2=O)c1
InChIInChI=1S/C17H13NO4/c1-22-13-9-5-8-12(10-13)18-16(20)14(15(19)17(18)21)11-6-3-2-4-7-11/h2-10,19H,1H3
InChIKeyNJWGRDKDIWLFME-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.54
Rot. Bonds3

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

3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110581161) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione
PubChem CID110581161
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione
SMILESCOc1cccc(N2C(=O)C(O)=C(c3ccccc3)C2=O)c1
InChIInChI=1S/C17H13NO4/c1-22-13-9-5-8-12(10-13)18-16(20)14(15(19)17(18)21)11-6-3-2-4-7-11/h2-10,19H,1H3
InChIKeyNJWGRDKDIWLFME-UHFFFAOYSA-N
XLogP2.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582215
1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione
CID 110581247
3-hydroxy-4-(4-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110581944
3-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110581815
1-(3,5-dimethylphenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580961
3-hydroxy-4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110580996
1-(3-fluorophenyl)-3-(3-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594991
3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110581416
1-(3-chloro-4-methoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580965
3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110581509
1-(3-ethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582348
1-(3-methoxyphenyl)-3-phenyl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110593979

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione (CID 110581161) is 3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione is COc1cccc(N2C(=O)C(O)=C(c3ccccc3)C2=O)c1.
What is the InChIKey of 3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is NJWGRDKDIWLFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-22-13-9-5-8-12(10-13)18-16(20)14(15(19)17(18)21)11-6-3-2-4-7-11/h2-10,19H,1H3.
What are the key properties of 3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione?
3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 295.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110581161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).