2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol

C13H15NO — CID 2125369

IUPAC2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol
SMILESCc1ccc(-n2c(C)ccc2C)c(O)c1
InChIInChI=1S/C13H15NO/c1-9-4-7-12(13(15)8-9)14-10(2)5-6-11(14)3/h4-8,15H,1-3H3
InChIKeyPSDMIAMWPKMTSN-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.11
Rot. Bonds1

About 2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol

2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol (PubChem CID 2125369) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol
PubChem CID2125369
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol
SMILESCc1ccc(-n2c(C)ccc2C)c(O)c1
InChIInChI=1S/C13H15NO/c1-9-4-7-12(13(15)8-9)14-10(2)5-6-11(14)3/h4-8,15H,1-3H3
InChIKeyPSDMIAMWPKMTSN-UHFFFAOYSA-N
XLogP3.11
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole
CID 107629535
5-methyl-2-(5-methylbenzotriazol-2-yl)phenol
CID 54003664
5-methyl-2-(4-methylimidazol-1-yl)phenol
CID 143857824
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
2,5-dimethylphenol;samarium
CID 87732062
CID 175892141
CID 175892141
2,5-dimethylphenol;ethane
CID 143419778
bis(2,5-dimethylphenol);dihydrochloride
CID 70596946
(2-hydroxy-4-methylphenyl)methylboronic acid
CID 57416355
2-(4-amino-3-methylpyrazol-1-yl)-5-methylphenol
CID 84617650
(3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076266
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol
CID 142614209

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol (CID 2125369) is 2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol is Cc1ccc(-n2c(C)ccc2C)c(O)c1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol?
The InChIKey is PSDMIAMWPKMTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-4-7-12(13(15)8-9)14-10(2)5-6-11(14)3/h4-8,15H,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol?
2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol has a molecular weight of 201.27 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol is sourced from PubChem (CID 2125369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).