(2R)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine

C17H18ClNO2 — CID 42641832

IUPAC(2R)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine
SMILESClc1ccc(Oc2ccc(OC[C@H]3CCCN3)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c18-13-3-5-16(6-4-13)21-17-9-7-15(8-10-17)20-12-14-2-1-11-19-14/h3-10,14,19H,1-2,11-12H2/t14-/m1/s1
InChIKeyOUVSEVIBPWQASX-CQSZACIVSA-N
MW303.79 g/mol
LogP4.26
Rot. Bonds5

About (2R)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine

(2R)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine (PubChem CID 42641832) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (2R)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine
PubChem CID42641832
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(2R)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine
SMILESClc1ccc(Oc2ccc(OC[C@H]3CCCN3)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c18-13-3-5-16(6-4-13)21-17-9-7-15(8-10-17)20-12-14-2-1-11-19-14/h3-10,14,19H,1-2,11-12H2/t14-/m1/s1
InChIKeyOUVSEVIBPWQASX-CQSZACIVSA-N
XLogP4.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-((4-phenoxyphenoxy)methyl)piperidine
CID 29293599
(R)-2-((4-phenoxyphenoxy)methyl)piperidine
CID 29293603
(S)-4-(2-((4-(4-chlorophenoxy)phenoxy)methyl)pyrrolidin-1-yl)butanoic acid
CID 44537807
(R/S)-2-((4-phenoxyphenoxy)methyl)piperidine
CID 45253769
[2-(4-Chloro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10315310
[2-(3-Chloro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10733406
[2-(4-Chloro-phenoxy)-ethyl]-[3-(4-fluoro-phenoxy)-propyl]-amine
CID 10734727
[2-(2-Chloro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10780942
3-(4-Chlorophenoxy)-8-azabicyclo[3.2.1]octane
CID 11310934
(R)-4-(2-((4-(4-chlorophenoxy)phenoxy)methyl)pyrrolidin-1-yl)butanoic acid
CID 42641156
3-{(R)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrrolidin-1-yl}-propionic Acid
CID 42641837
(S)-2-((4-(4-chlorophenoxy)phenoxy)methyl)piperidine
CID 46888148

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine?
The IUPAC name of (2R)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine (CID 42641832) is (2R)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine?
The canonical SMILES for (2R)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine is Clc1ccc(Oc2ccc(OC[C@H]3CCCN3)cc2)cc1.
What is the InChIKey of (2R)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine?
The InChIKey is OUVSEVIBPWQASX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-13-3-5-16(6-4-13)21-17-9-7-15(8-10-17)20-12-14-2-1-11-19-14/h3-10,14,19H,1-2,11-12H2/t14-/m1/s1.
What are the key properties of (2R)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine?
(2R)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine has a molecular weight of 303.79 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine is sourced from PubChem (CID 42641832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).