1-[(2,4-dimethoxyphenyl)methyl]pyrrole

C13H15NO2 — CID 63363175

IUPAC1-[(2,4-dimethoxyphenyl)methyl]pyrrole
SMILESCOc1ccc(Cn2cccc2)c(OC)c1
InChIInChI=1S/C13H15NO2/c1-15-12-6-5-11(13(9-12)16-2)10-14-7-3-4-8-14/h3-9H,10H2,1-2H3
InChIKeyAQJIZRRTZIJXSL-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.55
Rot. Bonds4

About 1-[(2,4-dimethoxyphenyl)methyl]pyrrole

1-[(2,4-dimethoxyphenyl)methyl]pyrrole (PubChem CID 63363175) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]pyrrole.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]pyrrole
PubChem CID63363175
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]pyrrole
SMILESCOc1ccc(Cn2cccc2)c(OC)c1
InChIInChI=1S/C13H15NO2/c1-15-12-6-5-11(13(9-12)16-2)10-14-7-3-4-8-14/h3-9H,10H2,1-2H3
InChIKeyAQJIZRRTZIJXSL-UHFFFAOYSA-N
XLogP2.55
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2,4-dimethoxyphenyl)methyl]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070547
1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 55191272
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
(2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 93046419
2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole
CID 150222873
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]pyrrole?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]pyrrole (CID 63363175) is 1-[(2,4-dimethoxyphenyl)methyl]pyrrole.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]pyrrole?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]pyrrole is COc1ccc(Cn2cccc2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]pyrrole?
The InChIKey is AQJIZRRTZIJXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-15-12-6-5-11(13(9-12)16-2)10-14-7-3-4-8-14/h3-9H,10H2,1-2H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]pyrrole?
1-[(2,4-dimethoxyphenyl)methyl]pyrrole has a molecular weight of 217.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]pyrrole is sourced from PubChem (CID 63363175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).