4-[2-(3,4-dichlorophenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid

C16H21Cl2NO6 — CID 2934179

IUPAC4-[2-(3,4-dichlorophenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
SMILESCC1CN(CCOc2ccc(Cl)c(Cl)c2)CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C14H19Cl2NO2.C2H2O4/c1-10-8-17(9-11(2)19-10)5-6-18-12-3-4-13(15)14(16)7-12;3-1(4)2(5)6/h3-4,7,10-11H,5-6,8-9H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyAGCDYOBDMXYBEC-UHFFFAOYSA-N
MW394.25 g/mol
LogP2.64
Rot. Bonds4

About 4-[2-(3,4-dichlorophenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid

4-[2-(3,4-dichlorophenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid (PubChem CID 2934179) has the molecular formula C16H21Cl2NO6 and a molecular weight of 394.25 g/mol. Its IUPAC name is 4-[2-(3,4-dichlorophenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid.

Molecular Properties

Compound Name4-[2-(3,4-dichlorophenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
PubChem CID2934179
Molecular FormulaC16H21Cl2NO6
Molecular Weight394.25 g/mol
Exact Mass393.07
IUPAC Name4-[2-(3,4-dichlorophenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
SMILESCC1CN(CCOc2ccc(Cl)c(Cl)c2)CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C14H19Cl2NO2.C2H2O4/c1-10-8-17(9-11(2)19-10)5-6-18-12-3-4-13(15)14(16)7-12;3-1(4)2(5)6/h3-4,7,10-11H,5-6,8-9H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyAGCDYOBDMXYBEC-UHFFFAOYSA-N
XLogP2.64
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 52.64
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-(3,4-dichlorophenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid?
The IUPAC name of 4-[2-(3,4-dichlorophenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid (CID 2934179) is 4-[2-(3,4-dichlorophenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid.
What is the SMILES notation for 4-[2-(3,4-dichlorophenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid?
The canonical SMILES for 4-[2-(3,4-dichlorophenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid is CC1CN(CCOc2ccc(Cl)c(Cl)c2)CC(C)O1.O=C(O)C(=O)O.
What is the InChIKey of 4-[2-(3,4-dichlorophenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid?
The InChIKey is AGCDYOBDMXYBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2.C2H2O4/c1-10-8-17(9-11(2)19-10)5-6-18-12-3-4-13(15)14(16)7-12;3-1(4)2(5)6/h3-4,7,10-11H,5-6,8-9H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 4-[2-(3,4-dichlorophenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid?
4-[2-(3,4-dichlorophenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid has a molecular weight of 394.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dichlorophenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid is sourced from PubChem (CID 2934179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).