(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol

C15H23NO2 — CID 63364786

IUPAC(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1OCCCN1CCCC1
InChIInChI=1S/C15H23NO2/c1-13(17)14-7-2-3-8-15(14)18-12-6-11-16-9-4-5-10-16/h2-3,7-8,13,17H,4-6,9-12H2,1H3/t13-/m1/s1
InChIKeyPERWEWKWBVBPFC-CYBMUJFWSA-N
MW249.35 g/mol
LogP2.60
Rot. Bonds6

About (1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol

(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol (PubChem CID 63364786) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
PubChem CID63364786
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1OCCCN1CCCC1
InChIInChI=1S/C15H23NO2/c1-13(17)14-7-2-3-8-15(14)18-12-6-11-16-9-4-5-10-16/h2-3,7-8,13,17H,4-6,9-12H2,1H3/t13-/m1/s1
InChIKeyPERWEWKWBVBPFC-CYBMUJFWSA-N
XLogP2.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63068202
1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride
CID 2865485
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 82000959
1-[2-(2-piperidin-1-ylethoxy)phenyl]propan-1-ol
CID 43503527
(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
CID 81114221
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
1-(2-propoxyphenyl)ethanol
CID 43503976
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol (CID 63364786) is (1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol is C[C@@H](O)c1ccccc1OCCCN1CCCC1.
What is the InChIKey of (1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol?
The InChIKey is PERWEWKWBVBPFC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13(17)14-7-2-3-8-15(14)18-12-6-11-16-9-4-5-10-16/h2-3,7-8,13,17H,4-6,9-12H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol?
(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol is sourced from PubChem (CID 63364786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).