4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one

C23H25NO5 — CID 108667167

IUPAC4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1cccc(N2C(=O)C(O)=C(C(=O)CC)C2c2ccccc2OC)c1
InChIInChI=1S/C23H25NO5/c1-4-13-29-16-10-8-9-15(14-16)24-21(17-11-6-7-12-19(17)28-3)20(18(25)5-2)22(26)23(24)27/h6-12,14,21,26H,4-5,13H2,1-3H3
InChIKeyXFOWBVAJUFEQTH-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.36
Rot. Bonds8

About 4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one

4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108667167) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one
PubChem CID108667167
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1cccc(N2C(=O)C(O)=C(C(=O)CC)C2c2ccccc2OC)c1
InChIInChI=1S/C23H25NO5/c1-4-13-29-16-10-8-9-15(14-16)24-21(17-11-6-7-12-19(17)28-3)20(18(25)5-2)22(26)23(24)27/h6-12,14,21,26H,4-5,13H2,1-3H3
InChIKeyXFOWBVAJUFEQTH-UHFFFAOYSA-N
XLogP4.36
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-3-propanoyl-2H-pyrrol-5-one
CID 108677159
4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 108667193
1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108667941
4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 108666217
(4E)-4-[hydroxy-(3-propoxyphenyl)methylidene]-5-(2-methoxyphenyl)-1-(3-propoxyphenyl)pyrrolidine-2,3-dione
CID 108667123
(4E)-4-[(2-chloro-5-methoxyphenyl)-hydroxymethylidene]-5-(2-methoxyphenyl)-1-(3-propoxyphenyl)pyrrolidine-2,3-dione
CID 108667164
(4E)-4-[hydroxy-(3-methyl-4-propoxyphenyl)methylidene]-5-(2-methoxyphenyl)-1-(3-propoxyphenyl)pyrrolidine-2,3-dione
CID 108667179
(4E)-4-[(4-chloro-2,5-dimethoxyphenyl)-hydroxymethylidene]-5-(2-methoxyphenyl)-1-(3-propoxyphenyl)pyrrolidine-2,3-dione
CID 108667132
1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108578641
4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 108688953
(4E)-4-[(4-fluoro-3-methylphenyl)-hydroxymethylidene]-5-(2-methoxyphenyl)-1-(3-propoxyphenyl)pyrrolidine-2,3-dione
CID 108667154
2-(3-ethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108596064

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one (CID 108667167) is 4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one is CCCOc1cccc(N2C(=O)C(O)=C(C(=O)CC)C2c2ccccc2OC)c1.
What is the InChIKey of 4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is XFOWBVAJUFEQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-4-13-29-16-10-8-9-15(14-16)24-21(17-11-6-7-12-19(17)28-3)20(18(25)5-2)22(26)23(24)27/h6-12,14,21,26H,4-5,13H2,1-3H3.
What are the key properties of 4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one?
4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 395.46 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108667167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).