4-(2,5-dimethylpyrrol-1-yl)phenol

C12H13NO — CID 1283353

IUPAC4-(2,5-dimethylpyrrol-1-yl)phenol
SMILESCc1ccc(C)n1-c1ccc(O)cc1
InChIInChI=1S/C12H13NO/c1-9-3-4-10(2)13(9)11-5-7-12(14)8-6-11/h3-8,14H,1-2H3
InChIKeyGQGLLBKGZRMFGZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.80
Rot. Bonds1

About 4-(2,5-dimethylpyrrol-1-yl)phenol

4-(2,5-dimethylpyrrol-1-yl)phenol (PubChem CID 1283353) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)phenol.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)phenol
PubChem CID1283353
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)phenol
SMILESCc1ccc(C)n1-c1ccc(O)cc1
InChIInChI=1S/C12H13NO/c1-9-3-4-10(2)13(9)11-5-7-12(14)8-6-11/h3-8,14H,1-2H3
InChIKeyGQGLLBKGZRMFGZ-UHFFFAOYSA-N
XLogP2.80
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.80
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)phenol?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)phenol (CID 1283353) is 4-(2,5-dimethylpyrrol-1-yl)phenol.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)phenol?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)phenol is Cc1ccc(C)n1-c1ccc(O)cc1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)phenol?
The InChIKey is GQGLLBKGZRMFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-3-4-10(2)13(9)11-5-7-12(14)8-6-11/h3-8,14H,1-2H3.
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)phenol?
4-(2,5-dimethylpyrrol-1-yl)phenol has a molecular weight of 187.24 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)phenol is sourced from PubChem (CID 1283353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).