5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid

C15H17NO3 — CID 82089839

IUPAC5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid
SMILESCCOc1ccc(-c2ccc(C(=O)O)n2CC)cc1
InChIInChI=1S/C15H17NO3/c1-3-16-13(9-10-14(16)15(17)18)11-5-7-12(8-6-11)19-4-2/h5-10H,3-4H2,1-2H3,(H,17,18)
InChIKeySZZDGNROGLDHDP-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.27
Rot. Bonds5

About 5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid

5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid (PubChem CID 82089839) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid
PubChem CID82089839
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid
SMILESCCOc1ccc(-c2ccc(C(=O)O)n2CC)cc1
InChIInChI=1S/C15H17NO3/c1-3-16-13(9-10-14(16)15(17)18)11-5-7-12(8-6-11)19-4-2/h5-10H,3-4H2,1-2H3,(H,17,18)
InChIKeySZZDGNROGLDHDP-UHFFFAOYSA-N
XLogP3.27
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
5-(4-bromo-3-chlorophenyl)-1-ethylpyrrole-2-carboxylic acid
CID 107615544
1-ethyl-5-(4-fluoro-3-methylphenyl)pyrrole-2-carboxylic acid
CID 62812751
N-(diaminomethylidene)-2-[2-(4-ethoxyphenyl)-5-phenylpyrrol-1-yl]acetamide
CID 11646236
5-ethoxy-1-ethylindole-2-carboxylic acid
CID 69018922
5-[4-bromo-3-(trifluoromethyl)phenyl]-1-ethylpyrrole-2-carboxylic acid
CID 64855538
5-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxylic acid
CID 65474357
1,5-diethylpyrrole-2-carboxylic acid
CID 100792524
1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
CID 43671676
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid
CID 82085731

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid (CID 82089839) is 5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid is CCOc1ccc(-c2ccc(C(=O)O)n2CC)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid?
The InChIKey is SZZDGNROGLDHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-16-13(9-10-14(16)15(17)18)11-5-7-12(8-6-11)19-4-2/h5-10H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid?
5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid is sourced from PubChem (CID 82089839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).