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

C21H23NO3 — CID 162648064

IUPAC2-(4-ethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
SMILESCCc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C21H23NO3/c1-5-15-8-10-16(11-9-15)18-7-6-12-22(18)17-13-19(23-2)21(25-4)20(14-17)24-3/h6-14H,5H2,1-4H3
InChIKeyNPCUHAJREVNSFW-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.73
Rot. Bonds6

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

2-(4-ethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole (PubChem CID 162648064) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
PubChem CID162648064
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2-(4-ethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
SMILESCCc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C21H23NO3/c1-5-15-8-10-16(11-9-15)18-7-6-12-22(18)17-13-19(23-2)21(25-4)20(14-17)24-3/h6-14H,5H2,1-4H3
InChIKeyNPCUHAJREVNSFW-UHFFFAOYSA-N
XLogP4.73
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The IUPAC name of 2-(4-ethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole (CID 162648064) is 2-(4-ethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The canonical SMILES for 2-(4-ethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole is CCc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The InChIKey is NPCUHAJREVNSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-5-15-8-10-16(11-9-15)18-7-6-12-22(18)17-13-19(23-2)21(25-4)20(14-17)24-3/h6-14H,5H2,1-4H3.
What are the key properties of 2-(4-ethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
2-(4-ethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole has a molecular weight of 337.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole is sourced from PubChem (CID 162648064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).