3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride

C16H17Cl2NO — CID 56830904

IUPAC3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride
SMILESCl.Clc1ccc(OC2CCNC2)c(-c2ccccc2)c1
InChIInChI=1S/C16H16ClNO.ClH/c17-13-6-7-16(19-14-8-9-18-11-14)15(10-13)12-4-2-1-3-5-12;/h1-7,10,14,18H,8-9,11H2;1H
InChIKeyOLQXQLSZTRUCNQ-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.17
Rot. Bonds3

About 3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride

3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride (PubChem CID 56830904) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride
PubChem CID56830904
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride
SMILESCl.Clc1ccc(OC2CCNC2)c(-c2ccccc2)c1
InChIInChI=1S/C16H16ClNO.ClH/c17-13-6-7-16(19-14-8-9-18-11-14)15(10-13)12-4-2-1-3-5-12;/h1-7,10,14,18H,8-9,11H2;1H
InChIKeyOLQXQLSZTRUCNQ-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride
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4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703
methyl (2S,4R)-4-(4-chloro-2-phenylphenoxy)pyrrolidine-2-carboxylate
CID 98006964
(3S)-3-[4-chloro-2-(4-methylphenoxy)phenoxy]pyrrolidine
CID 46216005
3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride
CID 86262649
4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide
CID 67250566
(3S)-3-(2,5-dichlorophenoxy)piperidine
CID 26191322
5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide
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(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
CID 86322323

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride?
The IUPAC name of 3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride (CID 56830904) is 3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride is Cl.Clc1ccc(OC2CCNC2)c(-c2ccccc2)c1.
What is the InChIKey of 3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride?
The InChIKey is OLQXQLSZTRUCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO.ClH/c17-13-6-7-16(19-14-8-9-18-11-14)15(10-13)12-4-2-1-3-5-12;/h1-7,10,14,18H,8-9,11H2;1H.
What are the key properties of 3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride?
3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride has a molecular weight of 310.22 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride is sourced from PubChem (CID 56830904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).