4-(2-methyl-5-phenylpyrrol-1-yl)phenol

C17H15NO — CID 3029922

IUPAC4-(2-methyl-5-phenylpyrrol-1-yl)phenol
SMILESCc1ccc(-c2ccccc2)n1-c1ccc(O)cc1
InChIInChI=1S/C17H15NO/c1-13-7-12-17(14-5-3-2-4-6-14)18(13)15-8-10-16(19)11-9-15/h2-12,19H,1H3
InChIKeyHHGKCNCOXGVTGT-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.16
Rot. Bonds2

About 4-(2-methyl-5-phenylpyrrol-1-yl)phenol

4-(2-methyl-5-phenylpyrrol-1-yl)phenol (PubChem CID 3029922) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(2-methyl-5-phenylpyrrol-1-yl)phenol.

Molecular Properties

Compound Name4-(2-methyl-5-phenylpyrrol-1-yl)phenol
PubChem CID3029922
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name4-(2-methyl-5-phenylpyrrol-1-yl)phenol
SMILESCc1ccc(-c2ccccc2)n1-c1ccc(O)cc1
InChIInChI=1S/C17H15NO/c1-13-7-12-17(14-5-3-2-4-6-14)18(13)15-8-10-16(19)11-9-15/h2-12,19H,1H3
InChIKeyHHGKCNCOXGVTGT-UHFFFAOYSA-N
XLogP4.16
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Analyze 4-(2-methyl-5-phenylpyrrol-1-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-phenylpyrrol-1-yl)phenol?
The IUPAC name of 4-(2-methyl-5-phenylpyrrol-1-yl)phenol (CID 3029922) is 4-(2-methyl-5-phenylpyrrol-1-yl)phenol.
What is the SMILES notation for 4-(2-methyl-5-phenylpyrrol-1-yl)phenol?
The canonical SMILES for 4-(2-methyl-5-phenylpyrrol-1-yl)phenol is Cc1ccc(-c2ccccc2)n1-c1ccc(O)cc1.
What is the InChIKey of 4-(2-methyl-5-phenylpyrrol-1-yl)phenol?
The InChIKey is HHGKCNCOXGVTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-13-7-12-17(14-5-3-2-4-6-14)18(13)15-8-10-16(19)11-9-15/h2-12,19H,1H3.
What are the key properties of 4-(2-methyl-5-phenylpyrrol-1-yl)phenol?
4-(2-methyl-5-phenylpyrrol-1-yl)phenol has a molecular weight of 249.31 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-phenylpyrrol-1-yl)phenol is sourced from PubChem (CID 3029922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).