2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid

C19H17NO5 — CID 664665

IUPAC2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
SMILESCOc1ccc(C2C(CC(=O)O)=C(O)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C19H17NO5/c1-25-14-9-7-12(8-10-14)17-15(11-16(21)22)18(23)19(24)20(17)13-5-3-2-4-6-13/h2-10,17,23H,11H2,1H3,(H,21,22)
InChIKeyGHAMAABQYIMQSA-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.07
Rot. Bonds5

About 2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid

2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid (PubChem CID 664665) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
PubChem CID664665
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
SMILESCOc1ccc(C2C(CC(=O)O)=C(O)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C19H17NO5/c1-25-14-9-7-12(8-10-14)17-15(11-16(21)22)18(23)19(24)20(17)13-5-3-2-4-6-13/h2-10,17,23H,11H2,1H3,(H,21,22)
InChIKeyGHAMAABQYIMQSA-UHFFFAOYSA-N
XLogP3.07
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-Acetyl-3-hydroxy-5-(4-methoxy-phenyl)-1-p-tolyl-1,5-dihydro-pyrrol-2-one
CID 2868511
ethyl 4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrole-3-carboxylate
CID 54676164
3-acetyl-2-cyclohexyl-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 12093162
methyl 5-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-1-benzazepine-4-carboxylate
CID 168283671
methyl 1-[(3-fluoro-4-methoxyphenyl)methyl]-5-hydroxy-2-oxo-3H-1-benzazepine-4-carboxylate
CID 168286309
4-acetyl-3-hydroxy-1-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3124167
4-acetyl-3-hydroxy-1-(4-hydroxyphenyl)-5-(2-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3124177
ethyl 4-(3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
CID 660066
4-acetyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 666893
3-acetyl-2-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 2889320
4-acetyl-1-(4-bromophenyl)-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3119316
4-Anilino-3-(4-methoxybenzyl)-4-oxobutanoic acid
CID 3238574

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid (CID 664665) is 2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid is COc1ccc(C2C(CC(=O)O)=C(O)C(=O)N2c2ccccc2)cc1.
What is the InChIKey of 2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid?
The InChIKey is GHAMAABQYIMQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-25-14-9-7-12(8-10-14)17-15(11-16(21)22)18(23)19(24)20(17)13-5-3-2-4-6-13/h2-10,17,23H,11H2,1H3,(H,21,22).
What are the key properties of 2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid?
2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid has a molecular weight of 339.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid is sourced from PubChem (CID 664665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).