4-[4-(3-ethoxyphenoxy)butyl]morpholine

C16H25NO3 — CID 2299882

IUPAC4-[4-(3-ethoxyphenoxy)butyl]morpholine
SMILESCCOc1cccc(OCCCCN2CCOCC2)c1
InChIInChI=1S/C16H25NO3/c1-2-19-15-6-5-7-16(14-15)20-11-4-3-8-17-9-12-18-13-10-17/h5-7,14H,2-4,8-13H2,1H3
InChIKeyKOCYLICANYDXIN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.58
Rot. Bonds8

About 4-[4-(3-ethoxyphenoxy)butyl]morpholine

4-[4-(3-ethoxyphenoxy)butyl]morpholine (PubChem CID 2299882) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[4-(3-ethoxyphenoxy)butyl]morpholine.

Molecular Properties

Compound Name4-[4-(3-ethoxyphenoxy)butyl]morpholine
PubChem CID2299882
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-[4-(3-ethoxyphenoxy)butyl]morpholine
SMILESCCOc1cccc(OCCCCN2CCOCC2)c1
InChIInChI=1S/C16H25NO3/c1-2-19-15-6-5-7-16(14-15)20-11-4-3-8-17-9-12-18-13-10-17/h5-7,14H,2-4,8-13H2,1H3
InChIKeyKOCYLICANYDXIN-UHFFFAOYSA-N
XLogP2.58
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-ethoxyphenoxy)butyl]morpholine?
The IUPAC name of 4-[4-(3-ethoxyphenoxy)butyl]morpholine (CID 2299882) is 4-[4-(3-ethoxyphenoxy)butyl]morpholine.
What is the SMILES notation for 4-[4-(3-ethoxyphenoxy)butyl]morpholine?
The canonical SMILES for 4-[4-(3-ethoxyphenoxy)butyl]morpholine is CCOc1cccc(OCCCCN2CCOCC2)c1.
What is the InChIKey of 4-[4-(3-ethoxyphenoxy)butyl]morpholine?
The InChIKey is KOCYLICANYDXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-19-15-6-5-7-16(14-15)20-11-4-3-8-17-9-12-18-13-10-17/h5-7,14H,2-4,8-13H2,1H3.
What are the key properties of 4-[4-(3-ethoxyphenoxy)butyl]morpholine?
4-[4-(3-ethoxyphenoxy)butyl]morpholine has a molecular weight of 279.38 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-ethoxyphenoxy)butyl]morpholine is sourced from PubChem (CID 2299882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).