3-(3-pyrrolidin-1-ylpropoxy)phenol

C13H19NO2 — CID 61494316

IUPAC3-(3-pyrrolidin-1-ylpropoxy)phenol
SMILESOc1cccc(OCCCN2CCCC2)c1
InChIInChI=1S/C13H19NO2/c15-12-5-3-6-13(11-12)16-10-4-9-14-7-1-2-8-14/h3,5-6,11,15H,1-2,4,7-10H2
InChIKeyNJOAKXBFKGLYCO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.26
Rot. Bonds5

About 3-(3-pyrrolidin-1-ylpropoxy)phenol

3-(3-pyrrolidin-1-ylpropoxy)phenol (PubChem CID 61494316) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(3-pyrrolidin-1-ylpropoxy)phenol.

Molecular Properties

Compound Name3-(3-pyrrolidin-1-ylpropoxy)phenol
PubChem CID61494316
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(3-pyrrolidin-1-ylpropoxy)phenol
SMILESOc1cccc(OCCCN2CCCC2)c1
InChIInChI=1S/C13H19NO2/c15-12-5-3-6-13(11-12)16-10-4-9-14-7-1-2-8-14/h3,5-6,11,15H,1-2,4,7-10H2
InChIKeyNJOAKXBFKGLYCO-UHFFFAOYSA-N
XLogP2.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-pyrrolidin-1-ylpropoxy)phenol with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-(3-cyclopropylphenoxy)propyl]pyrrolidine
CID 91040173
3-[3-(azocan-1-yl)propoxy]benzonitrile
CID 43288881
2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 54961021
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
1-[6-(3-methylphenoxy)hexyl]pyrrolidine
CID 2057335
1-[4-(3-bromophenoxy)butyl]piperidine
CID 2297384
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
CID 90812906
CID 90812906
4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine
CID 155587886
3-[3-(1,4-oxazepan-4-yl)propoxy]benzoic acid
CID 63075111

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-1-ylpropoxy)phenol?
The IUPAC name of 3-(3-pyrrolidin-1-ylpropoxy)phenol (CID 61494316) is 3-(3-pyrrolidin-1-ylpropoxy)phenol.
What is the SMILES notation for 3-(3-pyrrolidin-1-ylpropoxy)phenol?
The canonical SMILES for 3-(3-pyrrolidin-1-ylpropoxy)phenol is Oc1cccc(OCCCN2CCCC2)c1.
What is the InChIKey of 3-(3-pyrrolidin-1-ylpropoxy)phenol?
The InChIKey is NJOAKXBFKGLYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-12-5-3-6-13(11-12)16-10-4-9-14-7-1-2-8-14/h3,5-6,11,15H,1-2,4,7-10H2.
What are the key properties of 3-(3-pyrrolidin-1-ylpropoxy)phenol?
3-(3-pyrrolidin-1-ylpropoxy)phenol has a molecular weight of 221.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-1-ylpropoxy)phenol is sourced from PubChem (CID 61494316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).