ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate

C22H23NO3 — CID 102185323

IUPACethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(C)n(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C22H23NO3/c1-5-26-22(24)21-16(3)23(18-11-13-19(25-4)14-12-18)15(2)20(21)17-9-7-6-8-10-17/h6-14H,5H2,1-4H3
InChIKeyMRCMGXPSGIJLCC-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.95
Rot. Bonds5

About ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate

ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate (PubChem CID 102185323) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
PubChem CID102185323
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Nameethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(C)n(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C22H23NO3/c1-5-26-22(24)21-16(3)23(18-11-13-19(25-4)14-12-18)15(2)20(21)17-9-7-6-8-10-17/h6-14H,5H2,1-4H3
InChIKeyMRCMGXPSGIJLCC-UHFFFAOYSA-N
XLogP4.95
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
2-(4-chlorophenyl)-4-ethoxycarbonyl-1-(4-methoxyphenyl)-5-methylpyrrole-3-carboxylic acid
CID 23650324
ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate
CID 2076757
1-(4-methoxyphenyl)-2-methyl-3-phenylindole
CID 102459165
diethyl 1-(4-bromophenyl)-2-methyl-5-phenylpyrrole-3,4-dicarboxylate
CID 11525344
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66570713
ethyl 2-benzoyl-1-(4-methoxyphenyl)-5-phenylpyrrole-3-carboxylate
CID 139181936
ethyl 5-formyl-4-(4-methoxyphenyl)-2-phenylthiophene-3-carboxylate
CID 102140906
ethyl 3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
CID 741661
ethyl 4-[3-acetyloxy-2-hydroxy-4-(4-methoxybenzoyl)-5-phenylpyrrol-1-yl]benzoate
CID 90699805
1-O-tert-butyl 3-O-ethyl 2,5-dimethyl-4-phenylpyrrole-1,3-dicarboxylate
CID 135007945
diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate
CID 10784928

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate (CID 102185323) is ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)c(C)n(-c2ccc(OC)cc2)c1C.
What is the InChIKey of ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate?
The InChIKey is MRCMGXPSGIJLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-5-26-22(24)21-16(3)23(18-11-13-19(25-4)14-12-18)15(2)20(21)17-9-7-6-8-10-17/h6-14H,5H2,1-4H3.
What are the key properties of ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate?
ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 102185323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).