ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate

C22H23NO4 — CID 10546793

IUPACethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)cn1C
InChIInChI=1S/C22H23NO4/c1-5-27-22(24)21-20(16-8-12-18(26-4)13-9-16)19(14-23(21)2)15-6-10-17(25-3)11-7-15/h6-14H,5H2,1-4H3
InChIKeyMGGFFZIZSMXDNM-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.55
Rot. Bonds6

About ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate

ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate (PubChem CID 10546793) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate
PubChem CID10546793
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Nameethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)cn1C
InChIInChI=1S/C22H23NO4/c1-5-27-22(24)21-20(16-8-12-18(26-4)13-9-16)19(14-23(21)2)15-6-10-17(25-3)11-7-15/h6-14H,5H2,1-4H3
InChIKeyMGGFFZIZSMXDNM-UHFFFAOYSA-N
XLogP4.55
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988452
ethyl 4-cyano-3-[4-(2-methoxyphenyl)phenyl]-1-methylpyrrole-2-carboxylate
CID 69022704
ethyl 4-cyano-1-methyl-3-(4-methylphenyl)pyrrole-2-carboxylate;propane
CID 143040541
ethyl 4-cyano-1-methyl-3-(4-phenoxyphenyl)pyrrole-2-carboxylate
CID 69020185
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate
CID 142563798
ethyl 3-[4-(2-chlorophenyl)phenyl]-4-cyano-1-methylpyrrole-2-carboxylate;propane
CID 143040412
ethyl 4-cyano-3-[4-(2-ethoxyphenyl)phenyl]-1-methylpyrrole-2-carboxylate
CID 70334684
ethyl 4-cyano-3-[4-[2-(cyanomethyl)phenyl]phenyl]-1-methylpyrrole-2-carboxylate
CID 70950123
dimethyl 3,4-bis(4-methoxyphenyl)pyrrole-1,2-dicarboxylate
CID 102146258
ethyl 4-cyano-3-[4-(1H-indol-7-yl)phenyl]-1-methylpyrrole-2-carboxylate
CID 69020213
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate (CID 10546793) is ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate is CCOC(=O)c1c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)cn1C.
What is the InChIKey of ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate?
The InChIKey is MGGFFZIZSMXDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-5-27-22(24)21-20(16-8-12-18(26-4)13-9-16)19(14-23(21)2)15-6-10-17(25-3)11-7-15/h6-14H,5H2,1-4H3.
What are the key properties of ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate?
ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 10546793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).