2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole

C13H15NO2 — CID 82078942

IUPAC2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole
SMILESCOc1ccc(-c2ccc(C)[nH]2)c(OC)c1
InChIInChI=1S/C13H15NO2/c1-9-4-7-12(14-9)11-6-5-10(15-2)8-13(11)16-3/h4-8,14H,1-3H3
InChIKeyNYNWSLSYAVCLTN-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.01
Rot. Bonds3

About 2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole

2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole (PubChem CID 82078942) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole
PubChem CID82078942
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole
SMILESCOc1ccc(-c2ccc(C)[nH]2)c(OC)c1
InChIInChI=1S/C13H15NO2/c1-9-4-7-12(14-9)11-6-5-10(15-2)8-13(11)16-3/h4-8,14H,1-3H3
InChIKeyNYNWSLSYAVCLTN-UHFFFAOYSA-N
XLogP3.01
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline
CID 141243307
6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one
CID 53217944
2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole
CID 13011434
3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one
CID 75359348
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95467419
1-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43649844
2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole
CID 118529838
N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853832
3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol
CID 10435212
2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole
CID 82086470
5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline
CID 107593656

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole (CID 82078942) is 2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole is COc1ccc(-c2ccc(C)[nH]2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole?
The InChIKey is NYNWSLSYAVCLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-4-7-12(14-9)11-6-5-10(15-2)8-13(11)16-3/h4-8,14H,1-3H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole?
2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole has a molecular weight of 217.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole is sourced from PubChem (CID 82078942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).