1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one

C21H23NO4 — CID 67121528

IUPAC1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one
SMILESCCCCN1C(=O)C(O)=C(c2ccccc2)C1c1ccc(O)c(OC)c1
InChIInChI=1S/C21H23NO4/c1-3-4-12-22-19(15-10-11-16(23)17(13-15)26-2)18(20(24)21(22)25)14-8-6-5-7-9-14/h5-11,13,19,23-24H,3-4,12H2,1-2H3
InChIKeyCGLUCQLJQXOMFV-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.05
Rot. Bonds6

About 1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one

1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one (PubChem CID 67121528) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one
PubChem CID67121528
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one
SMILESCCCCN1C(=O)C(O)=C(c2ccccc2)C1c1ccc(O)c(OC)c1
InChIInChI=1S/C21H23NO4/c1-3-4-12-22-19(15-10-11-16(23)17(13-15)26-2)18(20(24)21(22)25)14-8-6-5-7-9-14/h5-11,13,19,23-24H,3-4,12H2,1-2H3
InChIKeyCGLUCQLJQXOMFV-UHFFFAOYSA-N
XLogP4.05
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-butyl-4-(4-hydroxy-3-methoxyphenyl)-1-methyl-3-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 56959193
1-hexadecyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 3783942
4-[4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-3-(3-phenylprop-2-enoyl)-2H-pyrrol-1-yl]butanoic acid
CID 3134087
1-butyl-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108620563
3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-(4-hydroxy-3-methoxyphenyl)-2H-pyrrol-5-one
CID 3327717
(4E)-1-hexadecyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
CID 6238592
(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 7098587
methyl 4-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-5-oxo-3-phenyl-2H-pyrrol-2-yl]benzoate
CID 50774303
4-[(2S,3Z)-2-(4-hydroxy-3-methoxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid
CID 40641817
(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072838
(4E)-1-butyl-4-[(2,6-dimethoxyphenyl)-hydroxymethylidene]-5-(3-hydroxy-4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108664000
1-butyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 44857931

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of 1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one (CID 67121528) is 1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one is CCCCN1C(=O)C(O)=C(c2ccccc2)C1c1ccc(O)c(OC)c1.
What is the InChIKey of 1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one?
The InChIKey is CGLUCQLJQXOMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-3-4-12-22-19(15-10-11-16(23)17(13-15)26-2)18(20(24)21(22)25)14-8-6-5-7-9-14/h5-11,13,19,23-24H,3-4,12H2,1-2H3.
What are the key properties of 1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one?
1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one has a molecular weight of 353.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 67121528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).