2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole

C15H19NO — CID 82081579

IUPAC2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole
SMILESCCOc1ccccc1-c1ccc(C)n1CC
InChIInChI=1S/C15H19NO/c1-4-16-12(3)10-11-14(16)13-8-6-7-9-15(13)17-5-2/h6-11H,4-5H2,1-3H3
InChIKeyJOOPNEOPKFRJPD-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.88
Rot. Bonds4

About 2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole

2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole (PubChem CID 82081579) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole
PubChem CID82081579
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole
SMILESCCOc1ccccc1-c1ccc(C)n1CC
InChIInChI=1S/C15H19NO/c1-4-16-12(3)10-11-14(16)13-8-6-7-9-15(13)17-5-2/h6-11H,4-5H2,1-3H3
InChIKeyJOOPNEOPKFRJPD-UHFFFAOYSA-N
XLogP3.88
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-(2-ethoxyphenyl)-1-(2-methoxyethyl)pyridin-2-one
CID 82466998
3-(2-ethoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyridine
CID 114933738
6-(2-ethoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 82518873
1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82518797
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82518634
3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one
CID 82518736
1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid
CID 82085731
N-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine
CID 79100111
5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 62219790
3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82518673
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole?
The IUPAC name of 2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole (CID 82081579) is 2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole.
What is the SMILES notation for 2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole?
The canonical SMILES for 2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole is CCOc1ccccc1-c1ccc(C)n1CC.
What is the InChIKey of 2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole?
The InChIKey is JOOPNEOPKFRJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-16-12(3)10-11-14(16)13-8-6-7-9-15(13)17-5-2/h6-11H,4-5H2,1-3H3.
What are the key properties of 2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole?
2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole has a molecular weight of 229.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole is sourced from PubChem (CID 82081579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).