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

C15H19NO3 — CID 43394694

IUPAC2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole
SMILESCOc1cc(-n2c(C)ccc2C)cc(OC)c1OC
InChIInChI=1S/C15H19NO3/c1-10-6-7-11(2)16(10)12-8-13(17-3)15(19-5)14(9-12)18-4/h6-9H,1-5H3
InChIKeyXGJCYKHTLKZDQP-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.12
Rot. Bonds4

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

2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole (PubChem CID 43394694) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole
PubChem CID43394694
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole
SMILESCOc1cc(-n2c(C)ccc2C)cc(OC)c1OC
InChIInChI=1S/C15H19NO3/c1-10-6-7-11(2)16(10)12-8-13(17-3)15(19-5)14(9-12)18-4/h6-9H,1-5H3
InChIKeyXGJCYKHTLKZDQP-UHFFFAOYSA-N
XLogP3.12
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 162662989
2-(4-Ethylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 162648064
2-(4-Methylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 162670484
2-(4-Propylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 162645999
N-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine
CID 164614957
N,2-dimethyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine
CID 164626575
1-(3,4-dimethoxyphenyl)-1H-pyrrole
CID 1485786
1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrole
CID 846112
[1-(3,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanamine hydrochloride
CID 122164314
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-1H-pyrrole
CID 2323340
5,6-Dimethoxy-2-methylbenzotellurazole
CID 13931208
1-(3,5-Dimethoxyphenyl)-1H-pyrrole
CID 310847

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole?
The IUPAC name of 2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole (CID 43394694) is 2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole.
What is the SMILES notation for 2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole?
The canonical SMILES for 2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole is COc1cc(-n2c(C)ccc2C)cc(OC)c1OC.
What is the InChIKey of 2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole?
The InChIKey is XGJCYKHTLKZDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-6-7-11(2)16(10)12-8-13(17-3)15(19-5)14(9-12)18-4/h6-9H,1-5H3.
What are the key properties of 2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole?
2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole has a molecular weight of 261.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole is sourced from PubChem (CID 43394694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).