1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride

C17H25ClNO4- — CID 53313566

IUPAC1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride
SMILESCC(=O)c1ccc(OCC(O)CN2CC(C)OC(C)C2)cc1.[Cl-]
InChIInChI=1S/C17H25NO4.ClH/c1-12-8-18(9-13(2)22-12)10-16(20)11-21-17-6-4-15(5-7-17)14(3)19;/h4-7,12-13,16,20H,8-11H2,1-3H3;1H/p-1
InChIKeyVHHOMGSZZZMSLA-UHFFFAOYSA-M
MW342.84 g/mol
LogP-1.26
Rot. Bonds6

About 1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride

1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride (PubChem CID 53313566) has the molecular formula C17H25ClNO4- and a molecular weight of 342.84 g/mol. Its IUPAC name is 1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride.

Molecular Properties

Compound Name1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride
PubChem CID53313566
Molecular FormulaC17H25ClNO4-
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Name1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride
SMILESCC(=O)c1ccc(OCC(O)CN2CC(C)OC(C)C2)cc1.[Cl-]
InChIInChI=1S/C17H25NO4.ClH/c1-12-8-18(9-13(2)22-12)10-16(20)11-21-17-6-4-15(5-7-17)14(3)19;/h4-7,12-13,16,20H,8-11H2,1-3H3;1H/p-1
InChIKeyVHHOMGSZZZMSLA-UHFFFAOYSA-M
XLogP-1.26
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 42559903
methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 98242648
1-[4-[(2S)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 7157868
1-(2,6-dimethylmorpholin-4-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237688
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
CID 21237651
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[4-[4-[(2R)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]propan-2-ol
CID 124765058
1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]ethanone
CID 4551855
1-[4-[(2S)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7125581
(2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 6559963
(2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7064341
1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride
CID 21237837
1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone
CID 7380535

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride?
The IUPAC name of 1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride (CID 53313566) is 1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride.
What is the SMILES notation for 1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride?
The canonical SMILES for 1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride is CC(=O)c1ccc(OCC(O)CN2CC(C)OC(C)C2)cc1.[Cl-].
What is the InChIKey of 1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride?
The InChIKey is VHHOMGSZZZMSLA-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H25NO4.ClH/c1-12-8-18(9-13(2)22-12)10-16(20)11-21-17-6-4-15(5-7-17)14(3)19;/h4-7,12-13,16,20H,8-11H2,1-3H3;1H/p-1.
What are the key properties of 1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride?
1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride has a molecular weight of 342.84 g/mol, XLogP of -1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride is sourced from PubChem (CID 53313566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).