1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone

C15H22NO4+ — CID 7187819

IUPAC1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OC[C@H](O)C[NH+]1CCOCC1
InChIInChI=1S/C15H21NO4/c1-12(17)14-4-2-3-5-15(14)20-11-13(18)10-16-6-8-19-9-7-16/h2-5,13,18H,6-11H2,1H3/p+1/t13-/m1/s1
InChIKeyQGRBFZOIRDCXLZ-CYBMUJFWSA-O
MW280.34 g/mol
LogP-0.46
Rot. Bonds6

About 1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone

1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone (PubChem CID 7187819) has the molecular formula C15H22NO4+ and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone
PubChem CID7187819
Molecular FormulaC15H22NO4+
Molecular Weight280.34 g/mol
Exact Mass280.15
IUPAC Name1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OC[C@H](O)C[NH+]1CCOCC1
InChIInChI=1S/C15H21NO4/c1-12(17)14-4-2-3-5-15(14)20-11-13(18)10-16-6-8-19-9-7-16/h2-5,13,18H,6-11H2,1H3/p+1/t13-/m1/s1
InChIKeyQGRBFZOIRDCXLZ-CYBMUJFWSA-O
XLogP-0.46
TPSA60.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7371555
(2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 2330413
(2S)-1-morpholin-4-ium-4-yl-3-(2-nitrophenoxy)propan-2-ol
CID 7378153
(2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7542734
N-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]acetamide
CID 7263214
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
CID 2968485
(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6940086
(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7058452
1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 1248675
1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone
CID 16807424
[(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium
CID 2142702
[(2S)-1-morpholin-4-ium-4-ylpropan-2-yl] 2-methoxybenzoate
CID 6949317

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone (CID 7187819) is 1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone is CC(=O)c1ccccc1OC[C@H](O)C[NH+]1CCOCC1.
What is the InChIKey of 1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone?
The InChIKey is QGRBFZOIRDCXLZ-CYBMUJFWSA-O. The full InChI is InChI=1S/C15H21NO4/c1-12(17)14-4-2-3-5-15(14)20-11-13(18)10-16-6-8-19-9-7-16/h2-5,13,18H,6-11H2,1H3/p+1/t13-/m1/s1.
What are the key properties of 1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone?
1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone has a molecular weight of 280.34 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone is sourced from PubChem (CID 7187819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).