4-[2-(3-chlorophenoxy)ethyl]morpholine;oxalic acid

C14H18ClNO6 — CID 644755

IUPAC4-[2-(3-chlorophenoxy)ethyl]morpholine;oxalic acid
SMILESClc1cccc(OCCN2CCOCC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C12H16ClNO2.C2H2O4/c13-11-2-1-3-12(10-11)16-9-6-14-4-7-15-8-5-14;3-1(4)2(5)6/h1-3,10H,4-9H2;(H,3,4)(H,5,6)
InChIKeyMNCKHURFHFLVEG-UHFFFAOYSA-N
MW331.75 g/mol
LogP1.21
Rot. Bonds4

About 4-[2-(3-chlorophenoxy)ethyl]morpholine;oxalic acid

4-[2-(3-chlorophenoxy)ethyl]morpholine;oxalic acid (PubChem CID 644755) has the molecular formula C14H18ClNO6 and a molecular weight of 331.75 g/mol. Its IUPAC name is 4-[2-(3-chlorophenoxy)ethyl]morpholine;oxalic acid.

Molecular Properties

Compound Name4-[2-(3-chlorophenoxy)ethyl]morpholine;oxalic acid
PubChem CID644755
Molecular FormulaC14H18ClNO6
Molecular Weight331.75 g/mol
Exact Mass331.08
IUPAC Name4-[2-(3-chlorophenoxy)ethyl]morpholine;oxalic acid
SMILESClc1cccc(OCCN2CCOCC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C12H16ClNO2.C2H2O4/c13-11-2-1-3-12(10-11)16-9-6-14-4-7-15-8-5-14;3-1(4)2(5)6/h1-3,10H,4-9H2;(H,3,4)(H,5,6)
InChIKeyMNCKHURFHFLVEG-UHFFFAOYSA-N
XLogP1.21
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 51.21
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-chlorophenoxy)ethyl]morpholine;oxalic acid?
The IUPAC name of 4-[2-(3-chlorophenoxy)ethyl]morpholine;oxalic acid (CID 644755) is 4-[2-(3-chlorophenoxy)ethyl]morpholine;oxalic acid.
What is the SMILES notation for 4-[2-(3-chlorophenoxy)ethyl]morpholine;oxalic acid?
The canonical SMILES for 4-[2-(3-chlorophenoxy)ethyl]morpholine;oxalic acid is Clc1cccc(OCCN2CCOCC2)c1.O=C(O)C(=O)O.
What is the InChIKey of 4-[2-(3-chlorophenoxy)ethyl]morpholine;oxalic acid?
The InChIKey is MNCKHURFHFLVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2.C2H2O4/c13-11-2-1-3-12(10-11)16-9-6-14-4-7-15-8-5-14;3-1(4)2(5)6/h1-3,10H,4-9H2;(H,3,4)(H,5,6).
What are the key properties of 4-[2-(3-chlorophenoxy)ethyl]morpholine;oxalic acid?
4-[2-(3-chlorophenoxy)ethyl]morpholine;oxalic acid has a molecular weight of 331.75 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenoxy)ethyl]morpholine;oxalic acid is sourced from PubChem (CID 644755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).