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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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).