4-[4-(4-bromo-2-chlorophenoxy)butyl]morpholine

C14H19BrClNO2 — CID 2297984

IUPAC4-[4-(4-bromo-2-chlorophenoxy)butyl]morpholine
SMILESClc1cc(Br)ccc1OCCCCN1CCOCC1
InChIInChI=1S/C14H19BrClNO2/c15-12-3-4-14(13(16)11-12)19-8-2-1-5-17-6-9-18-10-7-17/h3-4,11H,1-2,5-10H2
InChIKeyQOORRGSUVLRXIF-UHFFFAOYSA-N
MW348.67 g/mol
LogP3.59
Rot. Bonds6

About 4-[4-(4-bromo-2-chlorophenoxy)butyl]morpholine

4-[4-(4-bromo-2-chlorophenoxy)butyl]morpholine (PubChem CID 2297984) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is 4-[4-(4-bromo-2-chlorophenoxy)butyl]morpholine.

Molecular Properties

Compound Name4-[4-(4-bromo-2-chlorophenoxy)butyl]morpholine
PubChem CID2297984
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Name4-[4-(4-bromo-2-chlorophenoxy)butyl]morpholine
SMILESClc1cc(Br)ccc1OCCCCN1CCOCC1
InChIInChI=1S/C14H19BrClNO2/c15-12-3-4-14(13(16)11-12)19-8-2-1-5-17-6-9-18-10-7-17/h3-4,11H,1-2,5-10H2
InChIKeyQOORRGSUVLRXIF-UHFFFAOYSA-N
XLogP3.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 53.59
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-bromo-2-chlorophenoxy)butyl]morpholine?
The IUPAC name of 4-[4-(4-bromo-2-chlorophenoxy)butyl]morpholine (CID 2297984) is 4-[4-(4-bromo-2-chlorophenoxy)butyl]morpholine.
What is the SMILES notation for 4-[4-(4-bromo-2-chlorophenoxy)butyl]morpholine?
The canonical SMILES for 4-[4-(4-bromo-2-chlorophenoxy)butyl]morpholine is Clc1cc(Br)ccc1OCCCCN1CCOCC1.
What is the InChIKey of 4-[4-(4-bromo-2-chlorophenoxy)butyl]morpholine?
The InChIKey is QOORRGSUVLRXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c15-12-3-4-14(13(16)11-12)19-8-2-1-5-17-6-9-18-10-7-17/h3-4,11H,1-2,5-10H2.
What are the key properties of 4-[4-(4-bromo-2-chlorophenoxy)butyl]morpholine?
4-[4-(4-bromo-2-chlorophenoxy)butyl]morpholine has a molecular weight of 348.67 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromo-2-chlorophenoxy)butyl]morpholine is sourced from PubChem (CID 2297984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).