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

C12H13NO2 — CID 91268419

IUPAC3-(2,3-dimethylphenyl)-1H-pyrrole-2,5-diol
SMILESCc1cccc(-c2cc(O)[nH]c2O)c1C
InChIInChI=1S/C12H13NO2/c1-7-4-3-5-9(8(7)2)10-6-11(14)13-12(10)15/h3-6,13-15H,1-2H3
InChIKeyZENLSEGJKFHZJE-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.71
Rot. Bonds1

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

3-(2,3-dimethylphenyl)-1H-pyrrole-2,5-diol (PubChem CID 91268419) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-1H-pyrrole-2,5-diol
PubChem CID91268419
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(2,3-dimethylphenyl)-1H-pyrrole-2,5-diol
SMILESCc1cccc(-c2cc(O)[nH]c2O)c1C
InChIInChI=1S/C12H13NO2/c1-7-4-3-5-9(8(7)2)10-6-11(14)13-12(10)15/h3-6,13-15H,1-2H3
InChIKeyZENLSEGJKFHZJE-UHFFFAOYSA-N
XLogP2.71
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-1H-pyrrole-2,5-diol?
The IUPAC name of 3-(2,3-dimethylphenyl)-1H-pyrrole-2,5-diol (CID 91268419) is 3-(2,3-dimethylphenyl)-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-1H-pyrrole-2,5-diol?
The canonical SMILES for 3-(2,3-dimethylphenyl)-1H-pyrrole-2,5-diol is Cc1cccc(-c2cc(O)[nH]c2O)c1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)-1H-pyrrole-2,5-diol?
The InChIKey is ZENLSEGJKFHZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-4-3-5-9(8(7)2)10-6-11(14)13-12(10)15/h3-6,13-15H,1-2H3.
What are the key properties of 3-(2,3-dimethylphenyl)-1H-pyrrole-2,5-diol?
3-(2,3-dimethylphenyl)-1H-pyrrole-2,5-diol has a molecular weight of 203.24 g/mol, XLogP of 2.71, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-1H-pyrrole-2,5-diol is sourced from PubChem (CID 91268419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).