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

C15H21NO5 — CID 102934536

IUPAC1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CC(C)OC(CO)C2)cc1
InChIInChI=1S/C15H21NO5/c1-11-7-16(8-14(9-17)21-11)15(18)10-20-13-5-3-12(19-2)4-6-13/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyPXHAOPNOYXKBEC-UHFFFAOYSA-N
MW295.33 g/mol
LogP0.68
Rot. Bonds5

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

1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone (PubChem CID 102934536) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
PubChem CID102934536
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CC(C)OC(CO)C2)cc1
InChIInChI=1S/C15H21NO5/c1-11-7-16(8-14(9-17)21-11)15(18)10-20-13-5-3-12(19-2)4-6-13/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyPXHAOPNOYXKBEC-UHFFFAOYSA-N
XLogP0.68
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone
CID 102934744
(E)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 102934428
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 102934123
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone
CID 102937749
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone
CID 110644156
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
1-(2,6-dimethylmorpholin-4-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 25236981
2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931538
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]ethanone
CID 119055388
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
1-(2,6-dimethylmorpholin-4-yl)-2-pyridin-3-yloxyethanone
CID 110487906

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone (CID 102934536) is 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone is COc1ccc(OCC(=O)N2CC(C)OC(CO)C2)cc1.
What is the InChIKey of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone?
The InChIKey is PXHAOPNOYXKBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-11-7-16(8-14(9-17)21-11)15(18)10-20-13-5-3-12(19-2)4-6-13/h3-6,11,14,17H,7-10H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone?
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone has a molecular weight of 295.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 102934536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).