2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol

C19H23NO2 — CID 24845455

IUPAC2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol
SMILESCc1ccc(Oc2ccc(C3CCCN3CCO)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-15-4-8-17(9-5-15)22-18-10-6-16(7-11-18)19-3-2-12-20(19)13-14-21/h4-11,19,21H,2-3,12-14H2,1H3
InChIKeyAQIDNQPKXBHNPF-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.92
Rot. Bonds5

About 2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol

2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol (PubChem CID 24845455) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol
PubChem CID24845455
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol
SMILESCc1ccc(Oc2ccc(C3CCCN3CCO)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-15-4-8-17(9-5-15)22-18-10-6-16(7-11-18)19-3-2-12-20(19)13-14-21/h4-11,19,21H,2-3,12-14H2,1H3
InChIKeyAQIDNQPKXBHNPF-UHFFFAOYSA-N
XLogP3.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-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-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol (CID 24845455) is 2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol is Cc1ccc(Oc2ccc(C3CCCN3CCO)cc2)cc1.
What is the InChIKey of 2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol?
The InChIKey is AQIDNQPKXBHNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15-4-8-17(9-5-15)22-18-10-6-16(7-11-18)19-3-2-12-20(19)13-14-21/h4-11,19,21H,2-3,12-14H2,1H3.
What are the key properties of 2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol?
2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol has a molecular weight of 297.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 24845455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).