3-(3-methylphenyl)-1H-pyrrole-2,5-diol

C11H11NO2 — CID 91548731

IUPAC3-(3-methylphenyl)-1H-pyrrole-2,5-diol
SMILESCc1cccc(-c2cc(O)[nH]c2O)c1
InChIInChI=1S/C11H11NO2/c1-7-3-2-4-8(5-7)9-6-10(13)12-11(9)14/h2-6,12-14H,1H3
InChIKeyPHFLLIUDNCLZDZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.40
Rot. Bonds1

About 3-(3-methylphenyl)-1H-pyrrole-2,5-diol

3-(3-methylphenyl)-1H-pyrrole-2,5-diol (PubChem CID 91548731) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3-(3-methylphenyl)-1H-pyrrole-2,5-diol
PubChem CID91548731
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-(3-methylphenyl)-1H-pyrrole-2,5-diol
SMILESCc1cccc(-c2cc(O)[nH]c2O)c1
InChIInChI=1S/C11H11NO2/c1-7-3-2-4-8(5-7)9-6-10(13)12-11(9)14/h2-6,12-14H,1H3
InChIKeyPHFLLIUDNCLZDZ-UHFFFAOYSA-N
XLogP2.40
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-(3-methylphenyl)-1H-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

1H-Indol-2-ol
CID 65531
2-Hydroxyskatole
CID 2784902
Dihydroxyisoindole
CID 53631839
1-Methyl-3-phenylpyrrole-2,5-diol
CID 53881854
3-dodecyl-1H-pyrrole-2,5-diol
CID 53901811
3-phenyl-1H-pyrrole-2,5-diol
CID 54197759
3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol
CID 91041182
5-fluoro-3-methyl-1H-indol-2-ol
CID 20792903
7-(4-fluorophenyl)-4,5-dihydro-2H-isoindole-1,3-diol
CID 53840913
4-(4-fluorophenyl)-4,7-dihydro-2H-isoindole-1,3-diol
CID 53972612
3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrole-2,5-diol
CID 53985539
5-(4-fluorophenyl)-4,5-dihydro-2H-isoindole-1,3-diol
CID 53990470

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1H-pyrrole-2,5-diol?
The IUPAC name of 3-(3-methylphenyl)-1H-pyrrole-2,5-diol (CID 91548731) is 3-(3-methylphenyl)-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3-(3-methylphenyl)-1H-pyrrole-2,5-diol?
The canonical SMILES for 3-(3-methylphenyl)-1H-pyrrole-2,5-diol is Cc1cccc(-c2cc(O)[nH]c2O)c1.
What is the InChIKey of 3-(3-methylphenyl)-1H-pyrrole-2,5-diol?
The InChIKey is PHFLLIUDNCLZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-3-2-4-8(5-7)9-6-10(13)12-11(9)14/h2-6,12-14H,1H3.
What are the key properties of 3-(3-methylphenyl)-1H-pyrrole-2,5-diol?
3-(3-methylphenyl)-1H-pyrrole-2,5-diol has a molecular weight of 189.21 g/mol, XLogP of 2.40, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1H-pyrrole-2,5-diol is sourced from PubChem (CID 91548731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).