3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine

C14H18ClNO2 — CID 117423041

IUPAC3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine
SMILESClc1cc(C2CCNC2)ccc1OC1CCOC1
InChIInChI=1S/C14H18ClNO2/c15-13-7-10(11-3-5-16-8-11)1-2-14(13)18-12-4-6-17-9-12/h1-2,7,11-12,16H,3-6,8-9H2
InChIKeyHUBGGWOUQHHITG-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.58
Rot. Bonds3

About 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine

3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine (PubChem CID 117423041) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine
PubChem CID117423041
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine
SMILESClc1cc(C2CCNC2)ccc1OC1CCOC1
InChIInChI=1S/C14H18ClNO2/c15-13-7-10(11-3-5-16-8-11)1-2-14(13)18-12-4-6-17-9-12/h1-2,7,11-12,16H,3-6,8-9H2
InChIKeyHUBGGWOUQHHITG-UHFFFAOYSA-N
XLogP2.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
CID 117452446
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
CID 117452468
2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline
CID 164888733
3-[3-chloro-4-(oxan-4-yl)phenyl]pyrrolidine
CID 117418775
3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
CID 117470799
N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63556375
3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine
CID 117418869
3-chloro-4-(oxan-3-yloxy)aniline
CID 107134076
4-[2-[(3R)-oxolan-3-yl]oxyphenyl]piperidine
CID 156722278
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117425519
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005382

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine?
The IUPAC name of 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine (CID 117423041) is 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine.
What is the SMILES notation for 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine?
The canonical SMILES for 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine is Clc1cc(C2CCNC2)ccc1OC1CCOC1.
What is the InChIKey of 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine?
The InChIKey is HUBGGWOUQHHITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-13-7-10(11-3-5-16-8-11)1-2-14(13)18-12-4-6-17-9-12/h1-2,7,11-12,16H,3-6,8-9H2.
What are the key properties of 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine?
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine has a molecular weight of 267.76 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine is sourced from PubChem (CID 117423041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).