1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone

C14H19NO3 — CID 102933196

IUPAC1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CC(C)OC(CO)C2)cc1
InChIInChI=1S/C14H19NO3/c1-10-7-15(8-14(9-16)18-10)13-5-3-12(4-6-13)11(2)17/h3-6,10,14,16H,7-9H2,1-2H3
InChIKeyIDCMTKDJIVJGOQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.48
Rot. Bonds3

About 1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone

1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone (PubChem CID 102933196) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone
PubChem CID102933196
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CC(C)OC(CO)C2)cc1
InChIInChI=1S/C14H19NO3/c1-10-7-15(8-14(9-16)18-10)13-5-3-12(4-6-13)11(2)17/h3-6,10,14,16H,7-9H2,1-2H3
InChIKeyIDCMTKDJIVJGOQ-UHFFFAOYSA-N
XLogP1.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol
CID 102935166
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 102933160
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 102935175
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 102935310
1-[4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
CID 84785307
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid
CID 102933176
(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 15591327
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
CID 93023320
[4-(2,6-dimethylmorpholin-4-yl)phenyl]methanol
CID 43121035
[6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol
CID 102935281
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-nitrobenzoic acid
CID 102933153
[4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102932040

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone (CID 102933196) is 1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone is CC(=O)c1ccc(N2CC(C)OC(CO)C2)cc1.
What is the InChIKey of 1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone?
The InChIKey is IDCMTKDJIVJGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-7-15(8-14(9-16)18-10)13-5-3-12(4-6-13)11(2)17/h3-6,10,14,16H,7-9H2,1-2H3.
What are the key properties of 1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone?
1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone is sourced from PubChem (CID 102933196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).