4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid

C11H9NO3 — CID 84671303

IUPAC4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(O)c2)c[nH]1
InChIInChI=1S/C11H9NO3/c13-9-3-1-2-7(4-9)8-5-10(11(14)15)12-6-8/h1-6,12-13H,(H,14,15)
InChIKeyVLCCWPPZMQMJSJ-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.09
Rot. Bonds2

About 4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid

4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 84671303) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid
PubChem CID84671303
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(O)c2)c[nH]1
InChIInChI=1S/C11H9NO3/c13-9-3-1-2-7(4-9)8-5-10(11(14)15)12-6-8/h1-6,12-13H,(H,14,15)
InChIKeyVLCCWPPZMQMJSJ-UHFFFAOYSA-N
XLogP2.09
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid (CID 84671303) is 4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(-c2cccc(O)c2)c[nH]1.
What is the InChIKey of 4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is VLCCWPPZMQMJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-9-3-1-2-7(4-9)8-5-10(11(14)15)12-6-8/h1-6,12-13H,(H,14,15).
What are the key properties of 4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid?
4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 84671303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).