4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium

C13H19ClNO2+ — CID 7460476

IUPAC4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium
SMILESCc1cc(Cl)ccc1OCC[NH+]1CCOCC1
InChIInChI=1S/C13H18ClNO2/c1-11-10-12(14)2-3-13(11)17-9-6-15-4-7-16-8-5-15/h2-3,10H,4-9H2,1H3/p+1
InChIKeyPPJQHLLXAYJXCL-UHFFFAOYSA-O
MW256.75 g/mol
LogP0.94
Rot. Bonds4

About 4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium

4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium (PubChem CID 7460476) has the molecular formula C13H19ClNO2+ and a molecular weight of 256.75 g/mol. Its IUPAC name is 4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium
PubChem CID7460476
Molecular FormulaC13H19ClNO2+
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium
SMILESCc1cc(Cl)ccc1OCC[NH+]1CCOCC1
InChIInChI=1S/C13H18ClNO2/c1-11-10-12(14)2-3-13(11)17-9-6-15-4-7-16-8-5-15/h2-3,10H,4-9H2,1H3/p+1
InChIKeyPPJQHLLXAYJXCL-UHFFFAOYSA-O
XLogP0.94
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2-chloro-5-methylphenoxy)ethyl]morpholin-4-ium
CID 7460466
2-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-dioxane
CID 66474760
1-[2-(2,4-dichlorophenoxy)ethyl]pyrrolidin-1-ium
CID 7446277
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
4-[(5-chloro-2-pentoxyphenyl)methyl]morpholin-4-ium chloride
CID 44655465
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperazine-1,4-diium
CID 7439832
1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]pyrrolidin-1-ium
CID 7381474
4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride
CID 110175302
2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148638
1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]piperidin-1-ium
CID 7381548
4-chloro-2-methyl-1-(4-methylpentoxy)benzene
CID 151139968
4-(2-naphthalen-1-yloxyethyl)morpholin-4-ium
CID 7074084

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium?
The IUPAC name of 4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium (CID 7460476) is 4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium.
What is the SMILES notation for 4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium?
The canonical SMILES for 4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium is Cc1cc(Cl)ccc1OCC[NH+]1CCOCC1.
What is the InChIKey of 4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium?
The InChIKey is PPJQHLLXAYJXCL-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18ClNO2/c1-11-10-12(14)2-3-13(11)17-9-6-15-4-7-16-8-5-15/h2-3,10H,4-9H2,1H3/p+1.
What are the key properties of 4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium?
4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium has a molecular weight of 256.75 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium is sourced from PubChem (CID 7460476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).