4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid

C15H21NO6 — CID 44827969

IUPAC4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
SMILESCc1ccc(OCCN2CCOCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C13H19NO2.C2H2O4/c1-12-2-4-13(5-3-12)16-11-8-14-6-9-15-10-7-14;3-1(4)2(5)6/h2-5H,6-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyLFVQRTKRANZSOP-UHFFFAOYSA-N
MW311.33 g/mol
LogP0.86
Rot. Bonds4

About 4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid

4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid (PubChem CID 44827969) has the molecular formula C15H21NO6 and a molecular weight of 311.33 g/mol. Its IUPAC name is 4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid.

Molecular Properties

Compound Name4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
PubChem CID44827969
Molecular FormulaC15H21NO6
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
SMILESCc1ccc(OCCN2CCOCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C13H19NO2.C2H2O4/c1-12-2-4-13(5-3-12)16-11-8-14-6-9-15-10-7-14;3-1(4)2(5)6/h2-5H,6-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyLFVQRTKRANZSOP-UHFFFAOYSA-N
XLogP0.86
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110638166
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
CID 2843796
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070
5-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-one
CID 71543198
methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 157308320
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride
CID 87674715
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid?
The IUPAC name of 4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid (CID 44827969) is 4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid.
What is the SMILES notation for 4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid?
The canonical SMILES for 4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid is Cc1ccc(OCCN2CCOCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid?
The InChIKey is LFVQRTKRANZSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.C2H2O4/c1-12-2-4-13(5-3-12)16-11-8-14-6-9-15-10-7-14;3-1(4)2(5)6/h2-5H,6-11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid?
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid has a molecular weight of 311.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid is sourced from PubChem (CID 44827969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).