1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one

C24H25NO3 — CID 138961557

IUPAC1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one
SMILESCOc1ccc(-n2c(C)c(C(C)=O)c(CC(C)=O)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NO3/c1-15-6-8-19(9-7-15)24-22(14-16(2)26)23(18(4)27)17(3)25(24)20-10-12-21(28-5)13-11-20/h6-13H,14H2,1-5H3
InChIKeyXEUYTLXYEQAPIE-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.10
Rot. Bonds6

About 1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one

1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one (PubChem CID 138961557) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one
PubChem CID138961557
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one
SMILESCOc1ccc(-n2c(C)c(C(C)=O)c(CC(C)=O)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NO3/c1-15-6-8-19(9-7-15)24-22(14-16(2)26)23(18(4)27)17(3)25(24)20-10-12-21(28-5)13-11-20/h6-13H,14H2,1-5H3
InChIKeyXEUYTLXYEQAPIE-UHFFFAOYSA-N
XLogP5.10
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-4-ethoxycarbonyl-1-(4-methoxyphenyl)-5-methylpyrrole-3-carboxylic acid
CID 23650324
[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] acetate
CID 711025
1-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
CID 7863030
dimethyl 4-(2-methoxy-2-oxoethyl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate
CID 102138310
3-[4-acetyl-2-(4-chlorophenyl)-5-methyl-1-(4-methylphenyl)pyrrol-3-yl]-4-hydroxypent-3-en-2-one
CID 138961600
ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
CID 102185323
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone
CID 45142068
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]propan-2-one
CID 82130052
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1H-imidazol-2-one
CID 24786909
1-[4-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone
CID 704743
1-(4-methoxyphenyl)-2-methylindole-3-carboxylic acid
CID 172684717

Frequently Asked Questions

What is the IUPAC name of 1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one?
The IUPAC name of 1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one (CID 138961557) is 1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one.
What is the SMILES notation for 1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one?
The canonical SMILES for 1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one is COc1ccc(-n2c(C)c(C(C)=O)c(CC(C)=O)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one?
The InChIKey is XEUYTLXYEQAPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-15-6-8-19(9-7-15)24-22(14-16(2)26)23(18(4)27)17(3)25(24)20-10-12-21(28-5)13-11-20/h6-13H,14H2,1-5H3.
What are the key properties of 1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one?
1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one has a molecular weight of 375.47 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one is sourced from PubChem (CID 138961557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).