5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one

C24H21NO4 — CID 135002668

IUPAC5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one
SMILESCOc1ccc(N2C(=O)C(O)=C(c3ccccc3)C2(O)Cc2ccccc2)cc1
InChIInChI=1S/C24H21NO4/c1-29-20-14-12-19(13-15-20)25-23(27)22(26)21(18-10-6-3-7-11-18)24(25,28)16-17-8-4-2-5-9-17/h2-15,26,28H,16H2,1H3
InChIKeyLZZHSJXZODRYDD-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.94
Rot. Bonds5

About 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one

5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one (PubChem CID 135002668) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one.

Molecular Properties

Compound Name5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one
PubChem CID135002668
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one
SMILESCOc1ccc(N2C(=O)C(O)=C(c3ccccc3)C2(O)Cc2ccccc2)cc1
InChIInChI=1S/C24H21NO4/c1-29-20-14-12-19(13-15-20)25-23(27)22(26)21(18-10-6-3-7-11-18)24(25,28)16-17-8-4-2-5-9-17/h2-15,26,28H,16H2,1H3
InChIKeyLZZHSJXZODRYDD-UHFFFAOYSA-N
XLogP3.94
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine
CID 3768756
(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072850
(3R,4S)-3-benzyl-4-hydroxy-1-(4-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 101405679
5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one
CID 15683237
2-(4-ethylphenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50774223
3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione
CID 141397576
methyl (2R)-2-hydroxy-3-[hydroxy(phenyl)methylidene]-1-(4-methoxyphenyl)-4,5-dioxopyrrolidine-2-carboxylate
CID 1112642
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 11661663
(5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one
CID 99864604
(2S)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072929
(2R)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94071792
1-benzyl-4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 4278622

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one?
The IUPAC name of 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one (CID 135002668) is 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one.
What is the SMILES notation for 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one?
The canonical SMILES for 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one is COc1ccc(N2C(=O)C(O)=C(c3ccccc3)C2(O)Cc2ccccc2)cc1.
What is the InChIKey of 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one?
The InChIKey is LZZHSJXZODRYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-29-20-14-12-19(13-15-20)25-23(27)22(26)21(18-10-6-3-7-11-18)24(25,28)16-17-8-4-2-5-9-17/h2-15,26,28H,16H2,1H3.
What are the key properties of 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one?
5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one has a molecular weight of 387.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one is sourced from PubChem (CID 135002668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).