4-[2-(2,6-dimethylphenoxy)ethyl]morpholine;oxalic acid

C16H23NO6 — CID 2848544

IUPAC4-[2-(2,6-dimethylphenoxy)ethyl]morpholine;oxalic acid
SMILESCc1cccc(C)c1OCCN1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C14H21NO2.C2H2O4/c1-12-4-3-5-13(2)14(12)17-11-8-15-6-9-16-10-7-15;3-1(4)2(5)6/h3-5H,6-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyLCECJARKRYULHK-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.17
Rot. Bonds4

About 4-[2-(2,6-dimethylphenoxy)ethyl]morpholine;oxalic acid

4-[2-(2,6-dimethylphenoxy)ethyl]morpholine;oxalic acid (PubChem CID 2848544) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylphenoxy)ethyl]morpholine;oxalic acid.

Molecular Properties

Compound Name4-[2-(2,6-dimethylphenoxy)ethyl]morpholine;oxalic acid
PubChem CID2848544
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name4-[2-(2,6-dimethylphenoxy)ethyl]morpholine;oxalic acid
SMILESCc1cccc(C)c1OCCN1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C14H21NO2.C2H2O4/c1-12-4-3-5-13(2)14(12)17-11-8-15-6-9-16-10-7-15;3-1(4)2(5)6/h3-5H,6-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyLCECJARKRYULHK-UHFFFAOYSA-N
XLogP1.17
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylphenoxy)ethyl]morpholine;oxalic acid?
The IUPAC name of 4-[2-(2,6-dimethylphenoxy)ethyl]morpholine;oxalic acid (CID 2848544) is 4-[2-(2,6-dimethylphenoxy)ethyl]morpholine;oxalic acid.
What is the SMILES notation for 4-[2-(2,6-dimethylphenoxy)ethyl]morpholine;oxalic acid?
The canonical SMILES for 4-[2-(2,6-dimethylphenoxy)ethyl]morpholine;oxalic acid is Cc1cccc(C)c1OCCN1CCOCC1.O=C(O)C(=O)O.
What is the InChIKey of 4-[2-(2,6-dimethylphenoxy)ethyl]morpholine;oxalic acid?
The InChIKey is LCECJARKRYULHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.C2H2O4/c1-12-4-3-5-13(2)14(12)17-11-8-15-6-9-16-10-7-15;3-1(4)2(5)6/h3-5H,6-11H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 4-[2-(2,6-dimethylphenoxy)ethyl]morpholine;oxalic acid?
4-[2-(2,6-dimethylphenoxy)ethyl]morpholine;oxalic acid has a molecular weight of 325.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylphenoxy)ethyl]morpholine;oxalic acid is sourced from PubChem (CID 2848544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).