4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one

C24H27NO4 — CID 108583906

IUPAC4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1CN1C(=O)C(O)=C(C(=O)CC(C)C)C1c1cccc(C)c1
InChIInChI=1S/C24H27NO4/c1-15(2)12-19(26)21-22(17-10-7-8-16(3)13-17)25(24(28)23(21)27)14-18-9-5-6-11-20(18)29-4/h5-11,13,15,22,27H,12,14H2,1-4H3
InChIKeyDBBLUVWBMXHNIZ-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.51
Rot. Bonds7

About 4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one

4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108583906) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
PubChem CID108583906
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1CN1C(=O)C(O)=C(C(=O)CC(C)C)C1c1cccc(C)c1
InChIInChI=1S/C24H27NO4/c1-15(2)12-19(26)21-22(17-10-7-8-16(3)13-17)25(24(28)23(21)27)14-18-9-5-6-11-20(18)29-4/h5-11,13,15,22,27H,12,14H2,1-4H3
InChIKeyDBBLUVWBMXHNIZ-UHFFFAOYSA-N
XLogP4.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(3-methylphenyl)-1-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-propanoyl-2H-pyrrol-5-one
CID 108712907
2-(3,4-dimethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108700710
1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108619946
2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 43860027
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108605525
2-(4-tert-butylphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-propanoyl-2H-pyrrol-5-one
CID 108717344
1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 5143683
(4Z)-4-[hydroxy-(4-methylphenyl)methylidene]-1-[(2-methoxyphenyl)methyl]-5-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108583888
4-hydroxy-3-(3-methylbutanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 108702453
4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108578233
1-benzyl-4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 4278622
4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-pentyl-2H-pyrrol-5-one
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one (CID 108583906) is 4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one is COc1ccccc1CN1C(=O)C(O)=C(C(=O)CC(C)C)C1c1cccc(C)c1.
What is the InChIKey of 4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is DBBLUVWBMXHNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-15(2)12-19(26)21-22(17-10-7-8-16(3)13-17)25(24(28)23(21)27)14-18-9-5-6-11-20(18)29-4/h5-11,13,15,22,27H,12,14H2,1-4H3.
What are the key properties of 4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one?
4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 393.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108583906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).