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

C22H25NO3 — CID 162645999

IUPAC2-(4-propylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
SMILESCCCc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C22H25NO3/c1-5-7-16-9-11-17(12-10-16)19-8-6-13-23(19)18-14-20(24-2)22(26-4)21(15-18)25-3/h6,8-15H,5,7H2,1-4H3
InChIKeyYMJQNZBLGQJUHP-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.12
Rot. Bonds7

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

2-(4-propylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole (PubChem CID 162645999) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(4-propylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole.

Molecular Properties

Compound Name2-(4-propylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
PubChem CID162645999
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name2-(4-propylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
SMILESCCCc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C22H25NO3/c1-5-7-16-9-11-17(12-10-16)19-8-6-13-23(19)18-14-20(24-2)22(26-4)21(15-18)25-3/h6,8-15H,5,7H2,1-4H3
InChIKeyYMJQNZBLGQJUHP-UHFFFAOYSA-N
XLogP5.12
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The IUPAC name of 2-(4-propylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole (CID 162645999) is 2-(4-propylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole.
What is the SMILES notation for 2-(4-propylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The canonical SMILES for 2-(4-propylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole is CCCc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(4-propylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The InChIKey is YMJQNZBLGQJUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-5-7-16-9-11-17(12-10-16)19-8-6-13-23(19)18-14-20(24-2)22(26-4)21(15-18)25-3/h6,8-15H,5,7H2,1-4H3.
What are the key properties of 2-(4-propylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
2-(4-propylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole has a molecular weight of 351.45 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole is sourced from PubChem (CID 162645999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).