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

C19H27Cl2NO6 — CID 2935404

IUPAC4-[4-(2,4-dichloro-6-methylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
SMILESCc1cc(Cl)cc(Cl)c1OCCCCN1CC(C)OC(C)C1.O=C(O)C(=O)O
InChIInChI=1S/C17H25Cl2NO2.C2H2O4/c1-12-8-15(18)9-16(19)17(12)21-7-5-4-6-20-10-13(2)22-14(3)11-20;3-1(4)2(5)6/h8-9,13-14H,4-7,10-11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyWGWLHNVLIBUFSA-UHFFFAOYSA-N
MW436.33 g/mol
LogP3.73
Rot. Bonds6

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

4-[4-(2,4-dichloro-6-methylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid (PubChem CID 2935404) has the molecular formula C19H27Cl2NO6 and a molecular weight of 436.33 g/mol. Its IUPAC name is 4-[4-(2,4-dichloro-6-methylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid.

Molecular Properties

Compound Name4-[4-(2,4-dichloro-6-methylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
PubChem CID2935404
Molecular FormulaC19H27Cl2NO6
Molecular Weight436.33 g/mol
Exact Mass435.12
IUPAC Name4-[4-(2,4-dichloro-6-methylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
SMILESCc1cc(Cl)cc(Cl)c1OCCCCN1CC(C)OC(C)C1.O=C(O)C(=O)O
InChIInChI=1S/C17H25Cl2NO2.C2H2O4/c1-12-8-15(18)9-16(19)17(12)21-7-5-4-6-20-10-13(2)22-14(3)11-20;3-1(4)2(5)6/h8-9,13-14H,4-7,10-11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyWGWLHNVLIBUFSA-UHFFFAOYSA-N
XLogP3.73
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.33
LogP ≤ 53.73
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-chloro-2,3-dimethylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934960
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2922949
4-(2,4-dichloro-6-methylphenoxy)-N-(2-morpholin-4-ylethyl)butan-1-amine;oxalic acid
CID 2977574
4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934524
4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934842
(2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2182666
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid
CID 2936091
(2R,6R)-4-[4-(3,4-dimethylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2184552
(2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine
CID 2182592
2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid
CID 2935770
4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid
CID 2935433

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dichloro-6-methylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid?
The IUPAC name of 4-[4-(2,4-dichloro-6-methylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid (CID 2935404) is 4-[4-(2,4-dichloro-6-methylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid.
What is the SMILES notation for 4-[4-(2,4-dichloro-6-methylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid?
The canonical SMILES for 4-[4-(2,4-dichloro-6-methylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid is Cc1cc(Cl)cc(Cl)c1OCCCCN1CC(C)OC(C)C1.O=C(O)C(=O)O.
What is the InChIKey of 4-[4-(2,4-dichloro-6-methylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid?
The InChIKey is WGWLHNVLIBUFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO2.C2H2O4/c1-12-8-15(18)9-16(19)17(12)21-7-5-4-6-20-10-13(2)22-14(3)11-20;3-1(4)2(5)6/h8-9,13-14H,4-7,10-11H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 4-[4-(2,4-dichloro-6-methylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid?
4-[4-(2,4-dichloro-6-methylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid has a molecular weight of 436.33 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dichloro-6-methylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid is sourced from PubChem (CID 2935404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).