4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid

C18H26ClNO6 — CID 2922949

IUPAC4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
SMILESCC1CN(CCCCOc2ccc(Cl)cc2)CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C16H24ClNO2.C2H2O4/c1-13-11-18(12-14(2)20-13)9-3-4-10-19-16-7-5-15(17)6-8-16;3-1(4)2(5)6/h5-8,13-14H,3-4,9-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyVFWAOEONIKRCFL-UHFFFAOYSA-N
MW387.86 g/mol
LogP2.76
Rot. Bonds6

About 4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid

4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid (PubChem CID 2922949) has the molecular formula C18H26ClNO6 and a molecular weight of 387.86 g/mol. Its IUPAC name is 4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid.

Molecular Properties

Compound Name4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
PubChem CID2922949
Molecular FormulaC18H26ClNO6
Molecular Weight387.86 g/mol
Exact Mass387.14
IUPAC Name4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
SMILESCC1CN(CCCCOc2ccc(Cl)cc2)CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C16H24ClNO2.C2H2O4/c1-13-11-18(12-14(2)20-13)9-3-4-10-19-16-7-5-15(17)6-8-16;3-1(4)2(5)6/h5-8,13-14H,3-4,9-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyVFWAOEONIKRCFL-UHFFFAOYSA-N
XLogP2.76
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.86
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934842
(2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine
CID 2182392
(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182517
1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone
CID 7380535
4-[4-(4-chloro-2,3-dimethylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934960
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
4-[4-(2,4-dichloro-6-methylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2935404
2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid
CID 175940913
4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934524
2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid
CID 2936091
4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid
CID 2935433
(2R,6R)-4-[4-(3,4-dimethylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2184552

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid?
The IUPAC name of 4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid (CID 2922949) is 4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid.
What is the SMILES notation for 4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid?
The canonical SMILES for 4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid is CC1CN(CCCCOc2ccc(Cl)cc2)CC(C)O1.O=C(O)C(=O)O.
What is the InChIKey of 4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid?
The InChIKey is VFWAOEONIKRCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2.C2H2O4/c1-13-11-18(12-14(2)20-13)9-3-4-10-19-16-7-5-15(17)6-8-16;3-1(4)2(5)6/h5-8,13-14H,3-4,9-12H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid?
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid has a molecular weight of 387.86 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid is sourced from PubChem (CID 2922949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).