3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one

C19H17NO5 — CID 3124167

IUPAC3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)cc1
InChIInChI=1S/C19H17NO5/c1-11(21)16-17(12-3-9-15(25-2)10-4-12)20(19(24)18(16)23)13-5-7-14(22)8-6-13/h3-10,17,22-23H,1-2H3
InChIKeyWTRHMOSBUFSMIX-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.89
Rot. Bonds4

About 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one

3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 3124167) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID3124167
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)cc1
InChIInChI=1S/C19H17NO5/c1-11(21)16-17(12-3-9-15(25-2)10-4-12)20(19(24)18(16)23)13-5-7-14(22)8-6-13/h3-10,17,22-23H,1-2H3
InChIKeyWTRHMOSBUFSMIX-UHFFFAOYSA-N
XLogP2.89
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one (CID 3124167) is 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one is COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)cc1.
What is the InChIKey of 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is WTRHMOSBUFSMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-11(21)16-17(12-3-9-15(25-2)10-4-12)20(19(24)18(16)23)13-5-7-14(22)8-6-13/h3-10,17,22-23H,1-2H3.
What are the key properties of 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 339.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3124167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).