1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol

C19H23NO2 — CID 18678235

IUPAC1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol
SMILESOC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
InChIInChI=1S/C19H23NO2/c21-18-10-11-20(15-18)12-13-22-19-8-6-17(7-9-19)14-16-4-2-1-3-5-16/h1-9,18,21H,10-15H2
InChIKeyJUTRRVUBIZHCRH-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.72
Rot. Bonds6

About 1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol

1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol (PubChem CID 18678235) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol
PubChem CID18678235
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol
SMILESOC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
InChIInChI=1S/C19H23NO2/c21-18-10-11-20(15-18)12-13-22-19-8-6-17(7-9-19)14-16-4-2-1-3-5-16/h1-9,18,21H,10-15H2
InChIKeyJUTRRVUBIZHCRH-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol 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 1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol (CID 18678235) is 1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol is OC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1.
What is the InChIKey of 1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol?
The InChIKey is JUTRRVUBIZHCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c21-18-10-11-20(15-18)12-13-22-19-8-6-17(7-9-19)14-16-4-2-1-3-5-16/h1-9,18,21H,10-15H2.
What are the key properties of 1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol?
1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol has a molecular weight of 297.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 18678235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).