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

C12H13NO2 — CID 91425335

IUPAC1-(2,4-dimethylphenyl)pyrrole-2,5-diol
SMILESCc1ccc(-n2c(O)ccc2O)c(C)c1
InChIInChI=1S/C12H13NO2/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12(13)15/h3-7,14-15H,1-2H3
InChIKeyFASWZFCFQGVMPT-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.51
Rot. Bonds1

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

1-(2,4-dimethylphenyl)pyrrole-2,5-diol (PubChem CID 91425335) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)pyrrole-2,5-diol
PubChem CID91425335
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(2,4-dimethylphenyl)pyrrole-2,5-diol
SMILESCc1ccc(-n2c(O)ccc2O)c(C)c1
InChIInChI=1S/C12H13NO2/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12(13)15/h3-7,14-15H,1-2H3
InChIKeyFASWZFCFQGVMPT-UHFFFAOYSA-N
XLogP2.51
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)pyrrole-2,5-diol?
The IUPAC name of 1-(2,4-dimethylphenyl)pyrrole-2,5-diol (CID 91425335) is 1-(2,4-dimethylphenyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(2,4-dimethylphenyl)pyrrole-2,5-diol is Cc1ccc(-n2c(O)ccc2O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)pyrrole-2,5-diol?
The InChIKey is FASWZFCFQGVMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12(13)15/h3-7,14-15H,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)pyrrole-2,5-diol?
1-(2,4-dimethylphenyl)pyrrole-2,5-diol has a molecular weight of 203.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)pyrrole-2,5-diol is sourced from PubChem (CID 91425335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).