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

C21H23NO4 — CID 162664976

IUPAC2-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
SMILESCCOc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C21H23NO4/c1-5-26-17-10-8-15(9-11-17)18-7-6-12-22(18)16-13-19(23-2)21(25-4)20(14-16)24-3/h6-14H,5H2,1-4H3
InChIKeyXJJSLZLSTGNHBS-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.57
Rot. Bonds7

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

2-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole (PubChem CID 162664976) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
PubChem CID162664976
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
SMILESCCOc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C21H23NO4/c1-5-26-17-10-8-15(9-11-17)18-7-6-12-22(18)16-13-19(23-2)21(25-4)20(14-16)24-3/h6-14H,5H2,1-4H3
InChIKeyXJJSLZLSTGNHBS-UHFFFAOYSA-N
XLogP4.57
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Octaverine
CID 68363
6,7-Dimethoxy-4-(3,4-dimethoxyphenoxy)quinoline
CID 9927943
6,7-Dimethoxy-4-phenoxy-quinoline
CID 13085778
6,7-Dimethoxy-4-(3-methoxyphenoxy)quinoline
CID 22132666
5-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585270
4-(2,3-Dimethoxy-phenoxy)-6,7-dimethoxy-quinoline
CID 44331261
6,7-Dimethoxy-4-m-tolyloxy-quinoline
CID 44331325
6,7-Dimethoxy-4-(2-methoxyphenoxy)quinoline
CID 22132763
3-(6,7-Dimethoxy-quinolin-4-yloxy)-phenol
CID 22646527
5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole
CID 11290749
4,5,6-Trimethoxy-1-(1-methylindol-4-yl)indole
CID 54576096
4,5,6-Trimethoxy-1-(4-methoxyphenyl)indole
CID 54768148

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The IUPAC name of 2-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole (CID 162664976) is 2-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole is CCOc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The InChIKey is XJJSLZLSTGNHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-5-26-17-10-8-15(9-11-17)18-7-6-12-22(18)16-13-19(23-2)21(25-4)20(14-16)24-3/h6-14H,5H2,1-4H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
2-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole has a molecular weight of 353.42 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole is sourced from PubChem (CID 162664976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).