1-(4-ethoxyphenyl)-2,5-dimethylpyrrole

C14H17NO — CID 846041

IUPAC1-(4-ethoxyphenyl)-2,5-dimethylpyrrole
SMILESCCOc1ccc(-n2c(C)ccc2C)cc1
InChIInChI=1S/C14H17NO/c1-4-16-14-9-7-13(8-10-14)15-11(2)5-6-12(15)3/h5-10H,4H2,1-3H3
InChIKeyZDIOYIPJINVOQA-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.49
Rot. Bonds3

About 1-(4-ethoxyphenyl)-2,5-dimethylpyrrole

1-(4-ethoxyphenyl)-2,5-dimethylpyrrole (PubChem CID 846041) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2,5-dimethylpyrrole
PubChem CID846041
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(4-ethoxyphenyl)-2,5-dimethylpyrrole
SMILESCCOc1ccc(-n2c(C)ccc2C)cc1
InChIInChI=1S/C14H17NO/c1-4-16-14-9-7-13(8-10-14)15-11(2)5-6-12(15)3/h5-10H,4H2,1-3H3
InChIKeyZDIOYIPJINVOQA-UHFFFAOYSA-N
XLogP3.49
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

CID 272427
CID 272427
CID 776878
CID 776878
CID 11357227
CID 11357227
CID 6900623
CID 6900623
CID 71604552
CID 71604552
CID 1818683
CID 1818683
CID 776871
CID 776871
CID 354068
CID 354068
CID 3021959
CID 3021959
CID 1283353
CID 1283353
CID 4738465
CID 4738465
CID 321873
CID 321873

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(4-ethoxyphenyl)-2,5-dimethylpyrrole (CID 846041) is 1-(4-ethoxyphenyl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(4-ethoxyphenyl)-2,5-dimethylpyrrole is CCOc1ccc(-n2c(C)ccc2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2,5-dimethylpyrrole?
The InChIKey is ZDIOYIPJINVOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-16-14-9-7-13(8-10-14)15-11(2)5-6-12(15)3/h5-10H,4H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-2,5-dimethylpyrrole?
1-(4-ethoxyphenyl)-2,5-dimethylpyrrole has a molecular weight of 215.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2,5-dimethylpyrrole is sourced from PubChem (CID 846041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).