4-[2-(4-ethynylphenoxy)ethyl]morpholine

C14H17NO2 — CID 58608139

IUPAC4-[2-(4-ethynylphenoxy)ethyl]morpholine
SMILESC#Cc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C14H17NO2/c1-2-13-3-5-14(6-4-13)17-12-9-15-7-10-16-11-8-15/h1,3-6H,7-12H2
InChIKeyNYFDERBXIMWIBT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.38
Rot. Bonds4

About 4-[2-(4-ethynylphenoxy)ethyl]morpholine

4-[2-(4-ethynylphenoxy)ethyl]morpholine (PubChem CID 58608139) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[2-(4-ethynylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-ethynylphenoxy)ethyl]morpholine
PubChem CID58608139
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name4-[2-(4-ethynylphenoxy)ethyl]morpholine
SMILESC#Cc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C14H17NO2/c1-2-13-3-5-14(6-4-13)17-12-9-15-7-10-16-11-8-15/h1,3-6H,7-12H2
InChIKeyNYFDERBXIMWIBT-UHFFFAOYSA-N
XLogP1.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
2-morpholin-4-ylethyl 4-ethynylbenzoate;hydrochloride
CID 71386007
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-[2-(4-piperazin-1-ylphenoxy)ethyl]morpholine
CID 43510321
1-fluoro-2-[4-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 87332393
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
N-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide
CID 142830576
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethynylphenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(4-ethynylphenoxy)ethyl]morpholine (CID 58608139) is 4-[2-(4-ethynylphenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(4-ethynylphenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(4-ethynylphenoxy)ethyl]morpholine is C#Cc1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-(4-ethynylphenoxy)ethyl]morpholine?
The InChIKey is NYFDERBXIMWIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-13-3-5-14(6-4-13)17-12-9-15-7-10-16-11-8-15/h1,3-6H,7-12H2.
What are the key properties of 4-[2-(4-ethynylphenoxy)ethyl]morpholine?
4-[2-(4-ethynylphenoxy)ethyl]morpholine has a molecular weight of 231.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethynylphenoxy)ethyl]morpholine is sourced from PubChem (CID 58608139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).