4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride

C13H19Cl2NO2 — CID 110175302

IUPAC4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride
SMILESClc1cccc(OCCC[NH+]2CCOCC2)c1.[Cl-]
InChIInChI=1S/C13H18ClNO2.ClH/c14-12-3-1-4-13(11-12)17-8-2-5-15-6-9-16-10-7-15;/h1,3-4,11H,2,5-10H2;1H
InChIKeyDZTXDWGAABZOSV-UHFFFAOYSA-N
MW292.21 g/mol
LogP-1.97
Rot. Bonds5

About 4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride

4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride (PubChem CID 110175302) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is 4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride.

Molecular Properties

Compound Name4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride
PubChem CID110175302
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride
SMILESClc1cccc(OCCC[NH+]2CCOCC2)c1.[Cl-]
InChIInChI=1S/C13H18ClNO2.ClH/c14-12-3-1-4-13(11-12)17-8-2-5-15-6-9-16-10-7-15;/h1,3-4,11H,2,5-10H2;1H
InChIKeyDZTXDWGAABZOSV-UHFFFAOYSA-N
XLogP-1.97
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 5-1.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-chlorophenoxy)ethyl]morpholin-4-ium;2-hydroxy-2-oxoacetate
CID 44657389
4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium
CID 7379563
4-[2-(3-chlorophenoxy)ethoxy]oxane
CID 172730478
4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium
CID 2296505
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium
CID 7460476
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402
4-[3-(3-methyl-4-nitrophenoxy)propyl]morpholin-4-ium
CID 2297611
4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium
CID 7379875
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
1-(8-bromooctoxy)-3-chlorobenzene
CID 131871951
N-(3-chlorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
CID 7353332

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride?
The IUPAC name of 4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride (CID 110175302) is 4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride.
What is the SMILES notation for 4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride?
The canonical SMILES for 4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride is Clc1cccc(OCCC[NH+]2CCOCC2)c1.[Cl-].
What is the InChIKey of 4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride?
The InChIKey is DZTXDWGAABZOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2.ClH/c14-12-3-1-4-13(11-12)17-8-2-5-15-6-9-16-10-7-15;/h1,3-4,11H,2,5-10H2;1H.
What are the key properties of 4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride?
4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride has a molecular weight of 292.21 g/mol, XLogP of -1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride is sourced from PubChem (CID 110175302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).