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

C20H21NO3 — CID 162670484

IUPAC2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
SMILESCOc1cc(-n2cccc2-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C20H21NO3/c1-14-7-9-15(10-8-14)17-6-5-11-21(17)16-12-18(22-2)20(24-4)19(13-16)23-3/h5-13H,1-4H3
InChIKeyVIPISSZHHAOKSS-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.48
Rot. Bonds5

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

2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole (PubChem CID 162670484) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
PubChem CID162670484
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
SMILESCOc1cc(-n2cccc2-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C20H21NO3/c1-14-7-9-15(10-8-14)17-6-5-11-21(17)16-12-18(22-2)20(24-4)19(13-16)23-3/h5-13H,1-4H3
InChIKeyVIPISSZHHAOKSS-UHFFFAOYSA-N
XLogP4.48
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585270
5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole
CID 11290749
4,5,6-Trimethoxy-1-(4-methoxyphenyl)indole
CID 54768148
5-Methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline
CID 54768149
2-Methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol
CID 54768181
N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline
CID 54768182
4,5,6-Trimethoxy-1-(1-methylindol-5-yl)indole
CID 54768184
N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine
CID 68331953
2,4-Bis(3,4,5-trimethoxyphenyl)pyridine
CID 90670570
2-Methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline
CID 162654365
2-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 162662989
2-(4-Ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 162664976

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The IUPAC name of 2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole (CID 162670484) is 2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole.
What is the SMILES notation for 2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The canonical SMILES for 2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole is COc1cc(-n2cccc2-c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
The InChIKey is VIPISSZHHAOKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14-7-9-15(10-8-14)17-6-5-11-21(17)16-12-18(22-2)20(24-4)19(13-16)23-3/h5-13H,1-4H3.
What are the key properties of 2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole?
2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole has a molecular weight of 323.39 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole is sourced from PubChem (CID 162670484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).