ethane;4-(4-methoxyphenyl)morpholin-4-ium

C13H22NO2+ — CID 143568777

IUPACethane;4-(4-methoxyphenyl)morpholin-4-ium
SMILESCC.COc1ccc([NH+]2CCOCC2)cc1
InChIInChI=1S/C11H15NO2.C2H6/c1-13-11-4-2-10(3-5-11)12-6-8-14-9-7-12;1-2/h2-5H,6-9H2,1H3;1-2H3/p+1
InChIKeyJHPXJQNFEGYQLR-UHFFFAOYSA-O
MW224.32 g/mol
LogP1.27
Rot. Bonds2

About ethane;4-(4-methoxyphenyl)morpholin-4-ium

ethane;4-(4-methoxyphenyl)morpholin-4-ium (PubChem CID 143568777) has the molecular formula C13H22NO2+ and a molecular weight of 224.32 g/mol. Its IUPAC name is ethane;4-(4-methoxyphenyl)morpholin-4-ium.

Molecular Properties

Compound Nameethane;4-(4-methoxyphenyl)morpholin-4-ium
PubChem CID143568777
Molecular FormulaC13H22NO2+
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Nameethane;4-(4-methoxyphenyl)morpholin-4-ium
SMILESCC.COc1ccc([NH+]2CCOCC2)cc1
InChIInChI=1S/C11H15NO2.C2H6/c1-13-11-4-2-10(3-5-11)12-6-8-14-9-7-12;1-2/h2-5H,6-9H2,1H3;1-2H3/p+1
InChIKeyJHPXJQNFEGYQLR-UHFFFAOYSA-O
XLogP1.27
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
CID 7065404
anisole;oxolane
CID 21469894
(4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 168863097
(4-chlorophenyl)-[4-(4-methoxyphenyl)piperazin-4-ium-1-yl]methanone
CID 4073094
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]phenol
CID 4298033
4-[(4-methoxyphenyl)-morpholin-4-ylmethyl]morpholine
CID 609793
4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium
CID 6942878
1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride
CID 2748202
N'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide
CID 2260183
trans-(8R,9R)-8,9-bis(4-methoxyphenyl)-1,4-dioxa-7,10-diazacyclododecane
CID 10905147
4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium
CID 71482162
[(2S)-4-(4-methoxyphenyl)butan-2-yl]-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7014219

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-methoxyphenyl)morpholin-4-ium?
The IUPAC name of ethane;4-(4-methoxyphenyl)morpholin-4-ium (CID 143568777) is ethane;4-(4-methoxyphenyl)morpholin-4-ium.
What is the SMILES notation for ethane;4-(4-methoxyphenyl)morpholin-4-ium?
The canonical SMILES for ethane;4-(4-methoxyphenyl)morpholin-4-ium is CC.COc1ccc([NH+]2CCOCC2)cc1.
What is the InChIKey of ethane;4-(4-methoxyphenyl)morpholin-4-ium?
The InChIKey is JHPXJQNFEGYQLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15NO2.C2H6/c1-13-11-4-2-10(3-5-11)12-6-8-14-9-7-12;1-2/h2-5H,6-9H2,1H3;1-2H3/p+1.
What are the key properties of ethane;4-(4-methoxyphenyl)morpholin-4-ium?
ethane;4-(4-methoxyphenyl)morpholin-4-ium has a molecular weight of 224.32 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-methoxyphenyl)morpholin-4-ium is sourced from PubChem (CID 143568777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).