1-(4-methylphenyl)pyrrole-2,5-diol

C11H11NO2 — CID 90898575

IUPAC1-(4-methylphenyl)pyrrole-2,5-diol
SMILESCc1ccc(-n2c(O)ccc2O)cc1
InChIInChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7,13-14H,1H3
InChIKeyOGFWICKBXXUZBA-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.20
Rot. Bonds1

About 1-(4-methylphenyl)pyrrole-2,5-diol

1-(4-methylphenyl)pyrrole-2,5-diol (PubChem CID 90898575) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(4-methylphenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(4-methylphenyl)pyrrole-2,5-diol
PubChem CID90898575
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-(4-methylphenyl)pyrrole-2,5-diol
SMILESCc1ccc(-n2c(O)ccc2O)cc1
InChIInChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7,13-14H,1H3
InChIKeyOGFWICKBXXUZBA-UHFFFAOYSA-N
XLogP2.20
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenyl)pyrrole-2,5-diol 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

4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenol
CID 1283353
4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)phenol
CID 3029922
1-Methyl-1H-indol-2-ol
CID 2763659
(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methanol
CID 900407
2-(2-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123175013
2-(4-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123536853
[2,5-Dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methan-1-ol
CID 1084373
Pyrrole, 2,5-dimethyl-1-(2,6-dimethyl-4-hydroxy)phenyl-
CID 171384576
1-Naphthalen-1-ylpyrrole-2,5-diol
CID 53867746
1-Methyl-3-phenylpyrrole-2,5-diol
CID 53881854
1-(3-Chlorophenyl)pyrrole-2,5-diol
CID 54359620
1-(2-Tert-butylphenyl)pyrrole-2,5-diol
CID 90922955

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)pyrrole-2,5-diol?
The IUPAC name of 1-(4-methylphenyl)pyrrole-2,5-diol (CID 90898575) is 1-(4-methylphenyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(4-methylphenyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(4-methylphenyl)pyrrole-2,5-diol is Cc1ccc(-n2c(O)ccc2O)cc1.
What is the InChIKey of 1-(4-methylphenyl)pyrrole-2,5-diol?
The InChIKey is OGFWICKBXXUZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7,13-14H,1H3.
What are the key properties of 1-(4-methylphenyl)pyrrole-2,5-diol?
1-(4-methylphenyl)pyrrole-2,5-diol has a molecular weight of 189.21 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)pyrrole-2,5-diol is sourced from PubChem (CID 90898575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).