2-(2,4,6-trimethoxyphenyl)-1H-pyrrole

C13H15NO3 — CID 135036019

IUPAC2-(2,4,6-trimethoxyphenyl)-1H-pyrrole
SMILESCOc1cc(OC)c(-c2ccc[nH]2)c(OC)c1
InChIInChI=1S/C13H15NO3/c1-15-9-7-11(16-2)13(12(8-9)17-3)10-5-4-6-14-10/h4-8,14H,1-3H3
InChIKeyMNHRSSQOKZEIMY-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.71
Rot. Bonds4

About 2-(2,4,6-trimethoxyphenyl)-1H-pyrrole

2-(2,4,6-trimethoxyphenyl)-1H-pyrrole (PubChem CID 135036019) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(2,4,6-trimethoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(2,4,6-trimethoxyphenyl)-1H-pyrrole
PubChem CID135036019
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(2,4,6-trimethoxyphenyl)-1H-pyrrole
SMILESCOc1cc(OC)c(-c2ccc[nH]2)c(OC)c1
InChIInChI=1S/C13H15NO3/c1-15-9-7-11(16-2)13(12(8-9)17-3)10-5-4-6-14-10/h4-8,14H,1-3H3
InChIKeyMNHRSSQOKZEIMY-UHFFFAOYSA-N
XLogP2.71
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4,6-trimethoxyphenyl)-1H-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

2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole
CID 169050010
2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole
CID 175418289
2-(2-bromo-4-methoxyphenyl)-1H-pyrrole
CID 167495412
6,13-bis(2,4,6-trimethoxyphenyl)pentacene
CID 141153743
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083
5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole
CID 66573117
2-(4-methoxyphenyl)-1H-pyrrole;thiophene
CID 174976422
6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine
CID 162418858
2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 57247164
N-ethyl-4-methoxy-3-(1H-pyrrol-2-yl)aniline
CID 71046837
1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene
CID 102431568
5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole
CID 69300712

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethoxyphenyl)-1H-pyrrole?
The IUPAC name of 2-(2,4,6-trimethoxyphenyl)-1H-pyrrole (CID 135036019) is 2-(2,4,6-trimethoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 2-(2,4,6-trimethoxyphenyl)-1H-pyrrole?
The canonical SMILES for 2-(2,4,6-trimethoxyphenyl)-1H-pyrrole is COc1cc(OC)c(-c2ccc[nH]2)c(OC)c1.
What is the InChIKey of 2-(2,4,6-trimethoxyphenyl)-1H-pyrrole?
The InChIKey is MNHRSSQOKZEIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-15-9-7-11(16-2)13(12(8-9)17-3)10-5-4-6-14-10/h4-8,14H,1-3H3.
What are the key properties of 2-(2,4,6-trimethoxyphenyl)-1H-pyrrole?
2-(2,4,6-trimethoxyphenyl)-1H-pyrrole has a molecular weight of 233.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 135036019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).