1-(4-methoxyphenyl)pyrrole-2-carboxylic acid

C12H11NO3 — CID 15500724

IUPAC1-(4-methoxyphenyl)pyrrole-2-carboxylic acid
SMILESCOc1ccc(-n2cccc2C(=O)O)cc1
InChIInChI=1S/C12H11NO3/c1-16-10-6-4-9(5-7-10)13-8-2-3-11(13)12(14)15/h2-8H,1H3,(H,14,15)
InChIKeyUBHHVSDRGLWQKG-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.18
Rot. Bonds3

About 1-(4-methoxyphenyl)pyrrole-2-carboxylic acid

1-(4-methoxyphenyl)pyrrole-2-carboxylic acid (PubChem CID 15500724) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)pyrrole-2-carboxylic acid
PubChem CID15500724
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-(4-methoxyphenyl)pyrrole-2-carboxylic acid
SMILESCOc1ccc(-n2cccc2C(=O)O)cc1
InChIInChI=1S/C12H11NO3/c1-16-10-6-4-9(5-7-10)13-8-2-3-11(13)12(14)15/h2-8H,1H3,(H,14,15)
InChIKeyUBHHVSDRGLWQKG-UHFFFAOYSA-N
XLogP2.18
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)pyrrole-2-carboxylic acid (CID 15500724) is 1-(4-methoxyphenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)pyrrole-2-carboxylic acid is COc1ccc(-n2cccc2C(=O)O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)pyrrole-2-carboxylic acid?
The InChIKey is UBHHVSDRGLWQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-16-10-6-4-9(5-7-10)13-8-2-3-11(13)12(14)15/h2-8H,1H3,(H,14,15).
What are the key properties of 1-(4-methoxyphenyl)pyrrole-2-carboxylic acid?
1-(4-methoxyphenyl)pyrrole-2-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 15500724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).