4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium

C16H26NO4+ — CID 2298140

IUPAC4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium
SMILESCCOc1ccc(OCCOCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C16H25NO4/c1-2-20-15-3-5-16(6-4-15)21-14-13-19-12-9-17-7-10-18-11-8-17/h3-6H,2,7-14H2,1H3/p+1
InChIKeySYMKDUBNAKBPMR-UHFFFAOYSA-O
MW296.39 g/mol
LogP0.40
Rot. Bonds9

About 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium

4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium (PubChem CID 2298140) has the molecular formula C16H26NO4+ and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium
PubChem CID2298140
Molecular FormulaC16H26NO4+
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium
SMILESCCOc1ccc(OCCOCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C16H25NO4/c1-2-20-15-3-5-16(6-4-15)21-14-13-19-12-9-17-7-10-18-11-8-17/h3-6H,2,7-14H2,1H3/p+1
InChIKeySYMKDUBNAKBPMR-UHFFFAOYSA-O
XLogP0.40
TPSA41.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-ethoxyphenyl)methyl]morpholin-4-ium
CID 6942864
4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium
CID 2296505
4-(2-morpholin-4-ium-4-ylethoxy)benzonitrile
CID 7164632
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholin-4-ium
CID 140879614
4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium
CID 7380149
1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium
CID 2270055
1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]piperidin-1-ium
CID 2059414
4-[4-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,4-oxathian-4-ium
CID 140722673
2-(4-butoxyphenyl)-4-morpholin-4-ium-4-ylbutan-2-ol
CID 5179668
3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one
CID 7033556
1,6-bis(4-ethoxyphenyl)-2,5-bis(morpholin-4-ium-4-ylmethyl)hexane-1,6-dione
CID 4555483
(3R,5R)-3,5-dimethyl-1-[2-[2-(4-propoxyphenoxy)ethoxy]ethyl]piperidin-1-ium
CID 2183281

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium?
The IUPAC name of 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium (CID 2298140) is 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium.
What is the SMILES notation for 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium?
The canonical SMILES for 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium is CCOc1ccc(OCCOCC[NH+]2CCOCC2)cc1.
What is the InChIKey of 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium?
The InChIKey is SYMKDUBNAKBPMR-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H25NO4/c1-2-20-15-3-5-16(6-4-15)21-14-13-19-12-9-17-7-10-18-11-8-17/h3-6H,2,7-14H2,1H3/p+1.
What are the key properties of 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium?
4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium has a molecular weight of 296.39 g/mol, XLogP of 0.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium is sourced from PubChem (CID 2298140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).