ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate

C21H21NO3 — CID 59324439

IUPACethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(-c2cccc(OC)c2)c1-c1ccccc1
InChIInChI=1S/C21H21NO3/c1-4-25-21(23)19-13-15(2)22(17-11-8-12-18(14-17)24-3)20(19)16-9-6-5-7-10-16/h5-14H,4H2,1-3H3
InChIKeyQWAXZIYCXXTBFY-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.64
Rot. Bonds5

About ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate

ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate (PubChem CID 59324439) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate
PubChem CID59324439
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Nameethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(-c2cccc(OC)c2)c1-c1ccccc1
InChIInChI=1S/C21H21NO3/c1-4-25-21(23)19-13-15(2)22(17-11-8-12-18(14-17)24-3)20(19)16-9-6-5-7-10-16/h5-14H,4H2,1-3H3
InChIKeyQWAXZIYCXXTBFY-UHFFFAOYSA-N
XLogP4.64
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxycarbonyl-2-(3-methoxyphenyl)benzoic acid
CID 169449752
ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 69155295
ethyl 1-(5-methoxy-2-nitrophenyl)-2-phenylpyrrole-3-carboxylate
CID 59324816
ethyl 4-[[4-[1-(3-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperazine-1-carbonyl]amino]benzoate
CID 3907258
ethyl 3-(2-methyl-5-phenylpyrrol-1-yl)benzoate
CID 4763682
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 23282732
ethyl 1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)piperazine-2-carboxylate
CID 143526862
ethyl 1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 658482
ethyl 2-benzoyl-1-(4-methoxyphenyl)-5-phenylpyrrole-3-carboxylate
CID 139181936
ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986746
ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
CID 102185323

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate (CID 59324439) is ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate is CCOC(=O)c1cc(C)n(-c2cccc(OC)c2)c1-c1ccccc1.
What is the InChIKey of ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate?
The InChIKey is QWAXZIYCXXTBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-4-25-21(23)19-13-15(2)22(17-11-8-12-18(14-17)24-3)20(19)16-9-6-5-7-10-16/h5-14H,4H2,1-3H3.
What are the key properties of ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate?
ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 59324439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).