2-(3-benzylpyrrol-1-yl)ethanol

C13H15NO — CID 132581157

IUPAC2-(3-benzylpyrrol-1-yl)ethanol
SMILESOCCn1ccc(Cc2ccccc2)c1
InChIInChI=1S/C13H15NO/c15-9-8-14-7-6-13(11-14)10-12-4-2-1-3-5-12/h1-7,11,15H,8-10H2
InChIKeyKCMDOEJRHWHQLQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.07
Rot. Bonds4

About 2-(3-benzylpyrrol-1-yl)ethanol

2-(3-benzylpyrrol-1-yl)ethanol (PubChem CID 132581157) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(3-benzylpyrrol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-benzylpyrrol-1-yl)ethanol
PubChem CID132581157
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(3-benzylpyrrol-1-yl)ethanol
SMILESOCCn1ccc(Cc2ccccc2)c1
InChIInChI=1S/C13H15NO/c15-9-8-14-7-6-13(11-14)10-12-4-2-1-3-5-12/h1-7,11,15H,8-10H2
InChIKeyKCMDOEJRHWHQLQ-UHFFFAOYSA-N
XLogP2.07
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-benzylpyrrol-1-yl)ethanol 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-(3-benzylpyrrol-1-yl)ethanol?
The IUPAC name of 2-(3-benzylpyrrol-1-yl)ethanol (CID 132581157) is 2-(3-benzylpyrrol-1-yl)ethanol.
What is the SMILES notation for 2-(3-benzylpyrrol-1-yl)ethanol?
The canonical SMILES for 2-(3-benzylpyrrol-1-yl)ethanol is OCCn1ccc(Cc2ccccc2)c1.
What is the InChIKey of 2-(3-benzylpyrrol-1-yl)ethanol?
The InChIKey is KCMDOEJRHWHQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-9-8-14-7-6-13(11-14)10-12-4-2-1-3-5-12/h1-7,11,15H,8-10H2.
What are the key properties of 2-(3-benzylpyrrol-1-yl)ethanol?
2-(3-benzylpyrrol-1-yl)ethanol has a molecular weight of 201.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylpyrrol-1-yl)ethanol is sourced from PubChem (CID 132581157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).