1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole

C20H21NO4 — CID 162673897

IUPAC1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole
SMILESCOc1ccc(-n2cccc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H21NO4/c1-22-16-9-7-15(8-10-16)21-11-5-6-17(21)14-12-18(23-2)20(25-4)19(13-14)24-3/h5-13H,1-4H3
InChIKeyJVXYQYPMULUUCK-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.18
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole

1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole (PubChem CID 162673897) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole
PubChem CID162673897
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole
SMILESCOc1ccc(-n2cccc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H21NO4/c1-22-16-9-7-15(8-10-16)21-11-5-6-17(21)14-12-18(23-2)20(25-4)19(13-14)24-3/h5-13H,1-4H3
InChIKeyJVXYQYPMULUUCK-UHFFFAOYSA-N
XLogP4.18
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole?
The IUPAC name of 1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole (CID 162673897) is 1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole is COc1ccc(-n2cccc2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole?
The InChIKey is JVXYQYPMULUUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-22-16-9-7-15(8-10-16)21-11-5-6-17(21)14-12-18(23-2)20(25-4)19(13-14)24-3/h5-13H,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole?
1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole has a molecular weight of 339.39 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole is sourced from PubChem (CID 162673897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).