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

C20H21NO4 — CID 162662989

IUPAC2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
SMILESCOc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H21NO4/c1-22-16-9-7-14(8-10-16)17-6-5-11-21(17)15-12-18(23-2)20(25-4)19(13-15)24-3/h5-13H,1-4H3
InChIKeyOXMDEVWVHPEWJV-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.18
Rot. Bonds6

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

2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole (PubChem CID 162662989) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
PubChem CID162662989
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
SMILESCOc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H21NO4/c1-22-16-9-7-14(8-10-16)17-6-5-11-21(17)15-12-18(23-2)20(25-4)19(13-15)24-3/h5-13H,1-4H3
InChIKeyOXMDEVWVHPEWJV-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 2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The IUPAC name of 2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole (CID 162662989) is 2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole is COc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The InChIKey is OXMDEVWVHPEWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-22-16-9-7-14(8-10-16)17-6-5-11-21(17)15-12-18(23-2)20(25-4)19(13-15)24-3/h5-13H,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
2-(4-methoxyphenyl)-1-(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 2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole is sourced from PubChem (CID 162662989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).