5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid

C13H13NO3 — CID 168510098

IUPAC5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(CCO)c2)[nH]1
InChIInChI=1S/C13H13NO3/c15-7-6-9-2-1-3-10(8-9)11-4-5-12(14-11)13(16)17/h1-5,8,14-15H,6-7H2,(H,16,17)
InChIKeyDVYXBJNJRAJTBV-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.91
Rot. Bonds4

About 5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid

5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 168510098) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid
PubChem CID168510098
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(CCO)c2)[nH]1
InChIInChI=1S/C13H13NO3/c15-7-6-9-2-1-3-10(8-9)11-4-5-12(14-11)13(16)17/h1-5,8,14-15H,6-7H2,(H,16,17)
InChIKeyDVYXBJNJRAJTBV-UHFFFAOYSA-N
XLogP1.91
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol
CID 123266108
3-[3-(2-hydroxyethyl)phenyl]phenol
CID 11413238
3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid
CID 167871614
2-(3-pyrimidin-2-ylphenyl)ethanol
CID 142687410
5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid
CID 117223058
5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid
CID 57435157
1,2-bis(5-phenyl-1H-pyrrol-2-yl)ethane-1,2-dione;hydrate
CID 139189346
3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid
CID 115112810
2-(3-bromophenyl)ethanol
CID 2734090
3-fluoro-5-(3-nonylphenyl)-1H-pyrrole-2-carboxylic acid
CID 155368038
2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 24988330
5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 15687843

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid (CID 168510098) is 5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid is O=C(O)c1ccc(-c2cccc(CCO)c2)[nH]1.
What is the InChIKey of 5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is DVYXBJNJRAJTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-7-6-9-2-1-3-10(8-9)11-4-5-12(14-11)13(16)17/h1-5,8,14-15H,6-7H2,(H,16,17).
What are the key properties of 5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid?
5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 168510098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).