6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one

C13H17NO3 — CID 117008961

IUPAC6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one
SMILESO=C1COC(CO)CN1CCc1ccccc1
InChIInChI=1S/C13H17NO3/c15-9-12-8-14(13(16)10-17-12)7-6-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
InChIKeyOCIJCCTZWQYWPJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.45
Rot. Bonds4

About 6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one

6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one (PubChem CID 117008961) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one
PubChem CID117008961
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one
SMILESO=C1COC(CO)CN1CCc1ccccc1
InChIInChI=1S/C13H17NO3/c15-9-12-8-14(13(16)10-17-12)7-6-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
InChIKeyOCIJCCTZWQYWPJ-UHFFFAOYSA-N
XLogP0.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one
CID 15982290
6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride
CID 146050632
6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one
CID 115067566
4-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)morpholin-3-one
CID 117008957
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
(4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 93250929
N'-hydroxy-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboximidamide
CID 138111361
[6,6-dimethyl-4-(2-phenylethyl)morpholin-2-yl]methanol
CID 114779799
(4R)-4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 51565884
(3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 40515531
4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 117023014
ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 90810932

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one?
The IUPAC name of 6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one (CID 117008961) is 6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one.
What is the SMILES notation for 6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one?
The canonical SMILES for 6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one is O=C1COC(CO)CN1CCc1ccccc1.
What is the InChIKey of 6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one?
The InChIKey is OCIJCCTZWQYWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-9-12-8-14(13(16)10-17-12)7-6-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2.
What are the key properties of 6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one?
6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one has a molecular weight of 235.28 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one is sourced from PubChem (CID 117008961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).