4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine

C16H21NO2 — CID 123489921

IUPAC4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine
SMILESC=CC(=C)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C16H21NO2/c1-3-14(2)15-4-6-16(7-5-15)19-13-10-17-8-11-18-12-9-17/h3-7H,1-2,8-13H2
InChIKeyKKARBRHHVBACTB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.60
Rot. Bonds6

About 4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine

4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine (PubChem CID 123489921) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine
PubChem CID123489921
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine
SMILESC=CC(=C)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C16H21NO2/c1-3-14(2)15-4-6-16(7-5-15)19-13-10-17-8-11-18-12-9-17/h3-7H,1-2,8-13H2
InChIKeyKKARBRHHVBACTB-UHFFFAOYSA-N
XLogP2.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride
CID 87674715
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
CID 140994444
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
N-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide
CID 142830576
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine (CID 123489921) is 4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine is C=CC(=C)c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine?
The InChIKey is KKARBRHHVBACTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-14(2)15-4-6-16(7-5-15)19-13-10-17-8-11-18-12-9-17/h3-7H,1-2,8-13H2.
What are the key properties of 4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine?
4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine has a molecular weight of 259.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine is sourced from PubChem (CID 123489921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).