1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone

C20H19NO2 — CID 45142068

IUPAC1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone
SMILESCOc1ccc(-n2cc(-c3ccccc3)c(C(C)=O)c2C)cc1
InChIInChI=1S/C20H19NO2/c1-14-20(15(2)22)19(16-7-5-4-6-8-16)13-21(14)17-9-11-18(23-3)12-10-17/h4-13H,1-3H3
InChIKeyQRWYYFXUUWHWSN-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.66
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone

1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone (PubChem CID 45142068) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone
PubChem CID45142068
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone
SMILESCOc1ccc(-n2cc(-c3ccccc3)c(C(C)=O)c2C)cc1
InChIInChI=1S/C20H19NO2/c1-14-20(15(2)22)19(16-7-5-4-6-8-16)13-21(14)17-9-11-18(23-3)12-10-17/h4-13H,1-3H3
InChIKeyQRWYYFXUUWHWSN-UHFFFAOYSA-N
XLogP4.66
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone
CID 44718395
1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
CID 82212229
1-[1-hexyl-4-(4-methoxyphenyl)-2-methylpyrrol-3-yl]ethanone
CID 45142314
1-[1-benzyl-4-[3-(3-methoxyphenyl)phenyl]-2-methylpyrrol-3-yl]ethanone
CID 53493548
2-(4-methoxyphenyl)-1-methyl-4-phenylpyrrole-3-carboxylic acid
CID 3730701
2-(4-hydroxyphenyl)-4-(4-methoxyphenyl)isoquinolin-1-one
CID 144586778
1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone
CID 132512555
3-(4-methoxyphenyl)-1,4-diphenylpyrrole
CID 102125603
3-(4-methoxyphenyl)-1,4-diphenylimidazol-2-one
CID 1226931
ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
CID 102185323
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
CID 14640948

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone (CID 45142068) is 1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone is COc1ccc(-n2cc(-c3ccccc3)c(C(C)=O)c2C)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone?
The InChIKey is QRWYYFXUUWHWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-14-20(15(2)22)19(16-7-5-4-6-8-16)13-21(14)17-9-11-18(23-3)12-10-17/h4-13H,1-3H3.
What are the key properties of 1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone?
1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone has a molecular weight of 305.38 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone is sourced from PubChem (CID 45142068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).