(2,5-dimethyl-1-phenylpyrrol-3-yl)methanol

C13H15NO — CID 900407

IUPAC(2,5-dimethyl-1-phenylpyrrol-3-yl)methanol
SMILESCc1cc(CO)c(C)n1-c1ccccc1
InChIInChI=1S/C13H15NO/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13/h3-8,15H,9H2,1-2H3
InChIKeyWCSRYEKVFBXNCG-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.59
Rot. Bonds2

About (2,5-dimethyl-1-phenylpyrrol-3-yl)methanol

(2,5-dimethyl-1-phenylpyrrol-3-yl)methanol (PubChem CID 900407) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (2,5-dimethyl-1-phenylpyrrol-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethyl-1-phenylpyrrol-3-yl)methanol
PubChem CID900407
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(2,5-dimethyl-1-phenylpyrrol-3-yl)methanol
SMILESCc1cc(CO)c(C)n1-c1ccccc1
InChIInChI=1S/C13H15NO/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13/h3-8,15H,9H2,1-2H3
InChIKeyWCSRYEKVFBXNCG-UHFFFAOYSA-N
XLogP2.59
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,5-dimethyl-1-phenylpyrrol-3-yl)methanol 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 (2,5-dimethyl-1-phenylpyrrol-3-yl)methanol?
The IUPAC name of (2,5-dimethyl-1-phenylpyrrol-3-yl)methanol (CID 900407) is (2,5-dimethyl-1-phenylpyrrol-3-yl)methanol.
What is the SMILES notation for (2,5-dimethyl-1-phenylpyrrol-3-yl)methanol?
The canonical SMILES for (2,5-dimethyl-1-phenylpyrrol-3-yl)methanol is Cc1cc(CO)c(C)n1-c1ccccc1.
What is the InChIKey of (2,5-dimethyl-1-phenylpyrrol-3-yl)methanol?
The InChIKey is WCSRYEKVFBXNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13/h3-8,15H,9H2,1-2H3.
What are the key properties of (2,5-dimethyl-1-phenylpyrrol-3-yl)methanol?
(2,5-dimethyl-1-phenylpyrrol-3-yl)methanol has a molecular weight of 201.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1-phenylpyrrol-3-yl)methanol is sourced from PubChem (CID 900407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).