4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one

C13H15NO4 — CID 117009582

IUPAC4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one
SMILESCC(=O)c1cccc(N2C(=O)COCC2CO)c1
InChIInChI=1S/C13H15NO4/c1-9(16)10-3-2-4-11(5-10)14-12(6-15)7-18-8-13(14)17/h2-5,12,15H,6-8H2,1H3
InChIKeyJTGYKYZOLWZGBS-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.61
Rot. Bonds3

About 4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one

4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one (PubChem CID 117009582) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one
PubChem CID117009582
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one
SMILESCC(=O)c1cccc(N2C(=O)COCC2CO)c1
InChIInChI=1S/C13H15NO4/c1-9(16)10-3-2-4-11(5-10)14-12(6-15)7-18-8-13(14)17/h2-5,12,15H,6-8H2,1H3
InChIKeyJTGYKYZOLWZGBS-UHFFFAOYSA-N
XLogP0.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 117028425
5-(3-acetylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
CID 84794241
2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid
CID 117009368
1-(3-acetylphenyl)pyrrolidine-2,5-dione;ethane
CID 145439444
1-[3-[2-(aminomethyl)aziridin-1-yl]phenyl]ethanone
CID 117010112
4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102805
1-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
CID 84785308
1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone
CID 117020720
1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716979
5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
CID 115060460
(1R,2R,6R,7R)-4-(3-acetylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124713521
6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 17255818

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one?
The IUPAC name of 4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one (CID 117009582) is 4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one.
What is the SMILES notation for 4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one?
The canonical SMILES for 4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one is CC(=O)c1cccc(N2C(=O)COCC2CO)c1.
What is the InChIKey of 4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one?
The InChIKey is JTGYKYZOLWZGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-9(16)10-3-2-4-11(5-10)14-12(6-15)7-18-8-13(14)17/h2-5,12,15H,6-8H2,1H3.
What are the key properties of 4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one?
4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one has a molecular weight of 249.27 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one is sourced from PubChem (CID 117009582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).