1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone

C15H22NO3+ — CID 3102086

IUPAC1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone
SMILESCCOc1ccc(C(=O)C[N+]2(C)CCOCC2)cc1
InChIInChI=1S/C15H22NO3/c1-3-19-14-6-4-13(5-7-14)15(17)12-16(2)8-10-18-11-9-16/h4-7H,3,8-12H2,1-2H3/q+1
InChIKeyCGMGBOIRDNJZHO-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.74
Rot. Bonds5

About 1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone

1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone (PubChem CID 3102086) has the molecular formula C15H22NO3+ and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone
PubChem CID3102086
Molecular FormulaC15H22NO3+
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone
SMILESCCOc1ccc(C(=O)C[N+]2(C)CCOCC2)cc1
InChIInChI=1S/C15H22NO3/c1-3-19-14-6-4-13(5-7-14)15(17)12-16(2)8-10-18-11-9-16/h4-7H,3,8-12H2,1-2H3/q+1
InChIKeyCGMGBOIRDNJZHO-UHFFFAOYSA-N
XLogP1.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone
CID 102606997
1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone
CID 103986239
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide
CID 94262497
2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone
CID 141476338
1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione
CID 18428768
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 58304082
(4-ethoxyphenyl)-(oxolan-3-yl)methanone
CID 61272590
4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 51157452
N-[4-(bromomethyl)oxan-4-yl]-4-ethoxybenzamide
CID 106300875

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone (CID 3102086) is 1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone is CCOc1ccc(C(=O)C[N+]2(C)CCOCC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone?
The InChIKey is CGMGBOIRDNJZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO3/c1-3-19-14-6-4-13(5-7-14)15(17)12-16(2)8-10-18-11-9-16/h4-7H,3,8-12H2,1-2H3/q+1.
What are the key properties of 1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone?
1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone has a molecular weight of 264.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone is sourced from PubChem (CID 3102086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).