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

C17H25NO4 — CID 47527320

IUPAC1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(O)CN2CCOCC2(C)C)cc1
InChIInChI=1S/C17H25NO4/c1-13(19)14-4-6-16(7-5-14)22-11-15(20)10-18-8-9-21-12-17(18,2)3/h4-7,15,20H,8-12H2,1-3H3
InChIKeyPIWSZSZDEQWHLY-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.74
Rot. Bonds6

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

1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone (PubChem CID 47527320) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone
PubChem CID47527320
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(O)CN2CCOCC2(C)C)cc1
InChIInChI=1S/C17H25NO4/c1-13(19)14-4-6-16(7-5-14)22-11-15(20)10-18-8-9-21-12-17(18,2)3/h4-7,15,20H,8-12H2,1-3H3
InChIKeyPIWSZSZDEQWHLY-UHFFFAOYSA-N
XLogP1.74
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138959682
1-[4-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 4227652
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone;hydrochloride
CID 16806994
1-(3,3-dimethylmorpholin-4-yl)-3-ethoxypropan-2-ol
CID 63932943
1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]ethanone
CID 4551855
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
CID 977024
1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 138959729
methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
CID 754353
3-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 26011422
1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride
CID 53313566
4-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-hydroxypropoxy]benzoic acid
CID 154763088
1-[4-[(2S)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 7157868

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone (CID 47527320) is 1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone is CC(=O)c1ccc(OCC(O)CN2CCOCC2(C)C)cc1.
What is the InChIKey of 1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone?
The InChIKey is PIWSZSZDEQWHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-13(19)14-4-6-16(7-5-14)22-11-15(20)10-18-8-9-21-12-17(18,2)3/h4-7,15,20H,8-12H2,1-3H3.
What are the key properties of 1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone?
1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone has a molecular weight of 307.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone is sourced from PubChem (CID 47527320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).