4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium

C16H23ClNO2+ — CID 7379875

IUPAC4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium
SMILESC=CCc1cccc(Cl)c1OCCC[NH+]1CCOCC1
InChIInChI=1S/C16H22ClNO2/c1-2-5-14-6-3-7-15(17)16(14)20-11-4-8-18-9-12-19-13-10-18/h2-3,6-7H,1,4-5,8-13H2/p+1
InChIKeyYWLGZHLLPMUGRO-UHFFFAOYSA-O
MW296.82 g/mol
LogP1.75
Rot. Bonds7

About 4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium

4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium (PubChem CID 7379875) has the molecular formula C16H23ClNO2+ and a molecular weight of 296.82 g/mol. Its IUPAC name is 4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium
PubChem CID7379875
Molecular FormulaC16H23ClNO2+
Molecular Weight296.82 g/mol
Exact Mass296.14
IUPAC Name4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium
SMILESC=CCc1cccc(Cl)c1OCCC[NH+]1CCOCC1
InChIInChI=1S/C16H22ClNO2/c1-2-5-14-6-3-7-15(17)16(14)20-11-4-8-18-9-12-19-13-10-18/h2-3,6-7H,1,4-5,8-13H2/p+1
InChIKeyYWLGZHLLPMUGRO-UHFFFAOYSA-O
XLogP1.75
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-methoxy-2-prop-2-enylphenoxy)butyl]morpholin-4-ium
CID 2299379
3-(2-chloro-6-prop-2-enylphenoxy)-N-(2-morpholin-4-ylethyl)propan-1-amine;oxalic acid
CID 2977284
1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551586
4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride
CID 110175302
1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole
CID 2993147
1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine
CID 107009951
1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid
CID 2944629
2,6-dichloro-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide
CID 2120798
4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium
CID 2244994
N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 2254975
4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium
CID 7379563
2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane
CID 82091052

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium?
The IUPAC name of 4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium (CID 7379875) is 4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium.
What is the SMILES notation for 4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium?
The canonical SMILES for 4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium is C=CCc1cccc(Cl)c1OCCC[NH+]1CCOCC1.
What is the InChIKey of 4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium?
The InChIKey is YWLGZHLLPMUGRO-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22ClNO2/c1-2-5-14-6-3-7-15(17)16(14)20-11-4-8-18-9-12-19-13-10-18/h2-3,6-7H,1,4-5,8-13H2/p+1.
What are the key properties of 4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium?
4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium has a molecular weight of 296.82 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium is sourced from PubChem (CID 7379875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).