3-(2,5-dimethoxyphenyl)-1H-pyrrole

C12H13NO2 — CID 71342281

IUPAC3-(2,5-dimethoxyphenyl)-1H-pyrrole
SMILESCOc1ccc(OC)c(-c2cc[nH]c2)c1
InChIInChI=1S/C12H13NO2/c1-14-10-3-4-12(15-2)11(7-10)9-5-6-13-8-9/h3-8,13H,1-2H3
InChIKeyHRNBTBINOLAZQI-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.70
Rot. Bonds3

About 3-(2,5-dimethoxyphenyl)-1H-pyrrole

3-(2,5-dimethoxyphenyl)-1H-pyrrole (PubChem CID 71342281) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1H-pyrrole
PubChem CID71342281
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(2,5-dimethoxyphenyl)-1H-pyrrole
SMILESCOc1ccc(OC)c(-c2cc[nH]c2)c1
InChIInChI=1S/C12H13NO2/c1-14-10-3-4-12(15-2)11(7-10)9-5-6-13-8-9/h3-8,13H,1-2H3
InChIKeyHRNBTBINOLAZQI-UHFFFAOYSA-N
XLogP2.70
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1H-pyrrole?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1H-pyrrole (CID 71342281) is 3-(2,5-dimethoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1H-pyrrole?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1H-pyrrole is COc1ccc(OC)c(-c2cc[nH]c2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1H-pyrrole?
The InChIKey is HRNBTBINOLAZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-14-10-3-4-12(15-2)11(7-10)9-5-6-13-8-9/h3-8,13H,1-2H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-1H-pyrrole?
3-(2,5-dimethoxyphenyl)-1H-pyrrole has a molecular weight of 203.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 71342281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).