3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine

C16H15Cl2NO2 — CID 67348330

IUPAC3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine
SMILESClc1cccc(Oc2cc(Cl)ccc2OC2CCNC2)c1
InChIInChI=1S/C16H15Cl2NO2/c17-11-2-1-3-13(8-11)20-16-9-12(18)4-5-15(16)21-14-6-7-19-10-14/h1-5,8-9,14,19H,6-7,10H2
InChIKeyDOTQOTIFRUXCTB-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.53
Rot. Bonds4

About 3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine

3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine (PubChem CID 67348330) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine.

Molecular Properties

Compound Name3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine
PubChem CID67348330
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine
SMILESClc1cccc(Oc2cc(Cl)ccc2OC2CCNC2)c1
InChIInChI=1S/C16H15Cl2NO2/c17-11-2-1-3-13(8-11)20-16-9-12(18)4-5-15(16)21-14-6-7-19-10-14/h1-5,8-9,14,19H,6-7,10H2
InChIKeyDOTQOTIFRUXCTB-UHFFFAOYSA-N
XLogP4.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[4-chloro-2-(4-methylphenoxy)phenoxy]pyrrolidine
CID 46216005
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine
CID 86322333
3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride
CID 56830904
3-[5-chloro-2-(4-chlorophenoxy)phenoxy]azetidine
CID 46215141
(3S)-3-(2,5-dichlorophenoxy)piperidine
CID 26191322
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
CID 86322323
(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
CID 86322342
3-(4-chloro-2-methoxyphenoxy)azetidine
CID 131025612
3-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 74892056
4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride
CID 159278174
3-pyrrolidin-3-yloxyphenol
CID 83482218
(3S)-3-(2,3-difluorophenoxy)pyrrolidine
CID 94987117

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine?
The IUPAC name of 3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine (CID 67348330) is 3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine.
What is the SMILES notation for 3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine?
The canonical SMILES for 3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine is Clc1cccc(Oc2cc(Cl)ccc2OC2CCNC2)c1.
What is the InChIKey of 3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine?
The InChIKey is DOTQOTIFRUXCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c17-11-2-1-3-13(8-11)20-16-9-12(18)4-5-15(16)21-14-6-7-19-10-14/h1-5,8-9,14,19H,6-7,10H2.
What are the key properties of 3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine?
3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine has a molecular weight of 324.21 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine is sourced from PubChem (CID 67348330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).