methyl 3,4-bis(4-methoxyphenyl)-1H-pyrrole-2-carboxylate

C20H19NO4 — CID 10449726

IUPACmethyl 3,4-bis(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]cc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
InChIInChI=1S/C20H19NO4/c1-23-15-8-4-13(5-9-15)17-12-21-19(20(22)25-3)18(17)14-6-10-16(24-2)11-7-14/h4-12,21H,1-3H3
InChIKeyTWYOSWBHPXGQGZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.15
Rot. Bonds5

About methyl 3,4-bis(4-methoxyphenyl)-1H-pyrrole-2-carboxylate

methyl 3,4-bis(4-methoxyphenyl)-1H-pyrrole-2-carboxylate (PubChem CID 10449726) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 3,4-bis(4-methoxyphenyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-bis(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
PubChem CID10449726
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Namemethyl 3,4-bis(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]cc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
InChIInChI=1S/C20H19NO4/c1-23-15-8-4-13(5-9-15)17-12-21-19(20(22)25-3)18(17)14-6-10-16(24-2)11-7-14/h4-12,21H,1-3H3
InChIKeyTWYOSWBHPXGQGZ-UHFFFAOYSA-N
XLogP4.15
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3,4-bis(4-methoxyphenyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 3,4-bis(4-methoxyphenyl)-1H-pyrrole-2-carboxylate (CID 10449726) is methyl 3,4-bis(4-methoxyphenyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3,4-bis(4-methoxyphenyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 3,4-bis(4-methoxyphenyl)-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]cc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.
What is the InChIKey of methyl 3,4-bis(4-methoxyphenyl)-1H-pyrrole-2-carboxylate?
The InChIKey is TWYOSWBHPXGQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-23-15-8-4-13(5-9-15)17-12-21-19(20(22)25-3)18(17)14-6-10-16(24-2)11-7-14/h4-12,21H,1-3H3.
What are the key properties of methyl 3,4-bis(4-methoxyphenyl)-1H-pyrrole-2-carboxylate?
methyl 3,4-bis(4-methoxyphenyl)-1H-pyrrole-2-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-bis(4-methoxyphenyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 10449726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).