1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone

C19H17NO2 — CID 122217816

IUPAC1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone
SMILESCOc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1C(C)=O
InChIInChI=1S/C19H17NO2/c1-13(21)16-17(14-9-5-3-6-10-14)18(20-19(16)22-2)15-11-7-4-8-12-15/h3-12,20H,1-2H3
InChIKeyHAAHXEPCHTWBIZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.56
Rot. Bonds4

About 1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone

1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone (PubChem CID 122217816) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone
PubChem CID122217816
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone
SMILESCOc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1C(C)=O
InChIInChI=1S/C19H17NO2/c1-13(21)16-17(14-9-5-3-6-10-14)18(20-19(16)22-2)15-11-7-4-8-12-15/h3-12,20H,1-2H3
InChIKeyHAAHXEPCHTWBIZ-UHFFFAOYSA-N
XLogP4.56
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxoacetate
CID 122401334
ethyl 4-acetyl-5-methyl-2-phenyl-1H-pyrrole-3-carboxylate
CID 86237031
1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone
CID 3028306
5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione
CID 10308352
1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
CID 139093839
dimethyl 2-(4-hydroxyphenyl)-5-phenyl-1H-pyrrole-3,4-dicarboxylate
CID 101222068
1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone
CID 672266
1-(2-methyl-4-nitro-5-phenyl-1H-pyrrol-3-yl)ethanone
CID 14616639
(2,4,5-triphenyl-1H-pyrrol-3-yl) benzoate
CID 124780531
2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole
CID 100982702
2-(4-methoxyphenyl)-6-oxo-4-phenyl-1H-pyridine-3-carboxylic acid
CID 102419366
1-(2,3,9,10-tetramethoxy-5,12-diphenylbenzo[a]anthracen-7-yl)ethanone
CID 3392783

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone (CID 122217816) is 1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone is COc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1C(C)=O.
What is the InChIKey of 1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is HAAHXEPCHTWBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13(21)16-17(14-9-5-3-6-10-14)18(20-19(16)22-2)15-11-7-4-8-12-15/h3-12,20H,1-2H3.
What are the key properties of 1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone?
1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone has a molecular weight of 291.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 122217816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).