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

C21H23NO3 — CID 162674340

IUPAC2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
SMILESCOc1cc(-n2cccc2-c2ccc(C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C21H23NO3/c1-14-8-9-16(11-15(14)2)18-7-6-10-22(18)17-12-19(23-3)21(25-5)20(13-17)24-4/h6-13H,1-5H3
InChIKeyJVKHYXHGCOONMX-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.79
Rot. Bonds5

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

2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole (PubChem CID 162674340) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
PubChem CID162674340
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
SMILESCOc1cc(-n2cccc2-c2ccc(C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C21H23NO3/c1-14-8-9-16(11-15(14)2)18-7-6-10-22(18)17-12-19(23-3)21(25-5)20(13-17)24-4/h6-13H,1-5H3
InChIKeyJVKHYXHGCOONMX-UHFFFAOYSA-N
XLogP4.79
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole (CID 162674340) is 2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole is COc1cc(-n2cccc2-c2ccc(C)c(C)c2)cc(OC)c1OC.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The InChIKey is JVKHYXHGCOONMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-14-8-9-16(11-15(14)2)18-7-6-10-22(18)17-12-19(23-3)21(25-5)20(13-17)24-4/h6-13H,1-5H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole has a molecular weight of 337.42 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole is sourced from PubChem (CID 162674340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).