4-[4-(4-chloro-2,6-dimethylphenoxy)butyl]morpholine

C16H24ClNO2 — CID 2248084

IUPAC4-[4-(4-chloro-2,6-dimethylphenoxy)butyl]morpholine
SMILESCc1cc(Cl)cc(C)c1OCCCCN1CCOCC1
InChIInChI=1S/C16H24ClNO2/c1-13-11-15(17)12-14(2)16(13)20-8-4-3-5-18-6-9-19-10-7-18/h11-12H,3-10H2,1-2H3
InChIKeyBKXFXPOHYZOWEI-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.45
Rot. Bonds6

About 4-[4-(4-chloro-2,6-dimethylphenoxy)butyl]morpholine

4-[4-(4-chloro-2,6-dimethylphenoxy)butyl]morpholine (PubChem CID 2248084) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-[4-(4-chloro-2,6-dimethylphenoxy)butyl]morpholine.

Molecular Properties

Compound Name4-[4-(4-chloro-2,6-dimethylphenoxy)butyl]morpholine
PubChem CID2248084
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name4-[4-(4-chloro-2,6-dimethylphenoxy)butyl]morpholine
SMILESCc1cc(Cl)cc(C)c1OCCCCN1CCOCC1
InChIInChI=1S/C16H24ClNO2/c1-13-11-15(17)12-14(2)16(13)20-8-4-3-5-18-6-9-19-10-7-18/h11-12H,3-10H2,1-2H3
InChIKeyBKXFXPOHYZOWEI-UHFFFAOYSA-N
XLogP3.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-2,6-dimethylphenoxy)butyl]morpholine?
The IUPAC name of 4-[4-(4-chloro-2,6-dimethylphenoxy)butyl]morpholine (CID 2248084) is 4-[4-(4-chloro-2,6-dimethylphenoxy)butyl]morpholine.
What is the SMILES notation for 4-[4-(4-chloro-2,6-dimethylphenoxy)butyl]morpholine?
The canonical SMILES for 4-[4-(4-chloro-2,6-dimethylphenoxy)butyl]morpholine is Cc1cc(Cl)cc(C)c1OCCCCN1CCOCC1.
What is the InChIKey of 4-[4-(4-chloro-2,6-dimethylphenoxy)butyl]morpholine?
The InChIKey is BKXFXPOHYZOWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-13-11-15(17)12-14(2)16(13)20-8-4-3-5-18-6-9-19-10-7-18/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-[4-(4-chloro-2,6-dimethylphenoxy)butyl]morpholine?
4-[4-(4-chloro-2,6-dimethylphenoxy)butyl]morpholine has a molecular weight of 297.83 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-2,6-dimethylphenoxy)butyl]morpholine is sourced from PubChem (CID 2248084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).