2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one

C13H17NO3 — CID 56691290

IUPAC2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one
SMILESCN1CCOC(C)(C(O)c2ccccc2)C1=O
InChIInChI=1S/C13H17NO3/c1-13(12(16)14(2)8-9-17-13)11(15)10-6-4-3-5-7-10/h3-7,11,15H,8-9H2,1-2H3
InChIKeyADDITWMNKOFOFA-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.97
Rot. Bonds2

About 2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one

2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one (PubChem CID 56691290) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one
PubChem CID56691290
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one
SMILESCN1CCOC(C)(C(O)c2ccccc2)C1=O
InChIInChI=1S/C13H17NO3/c1-13(12(16)14(2)8-9-17-13)11(15)10-6-4-3-5-7-10/h3-7,11,15H,8-9H2,1-2H3
InChIKeyADDITWMNKOFOFA-UHFFFAOYSA-N
XLogP0.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid
CID 68600600
(6R,7R,14S)-14-[hydroxy(phenyl)methyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one
CID 67798629
5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one
CID 11300907
5-[hydroxy(phenyl)methyl]-1-methyl-5-phenylimidazolidine-2,4-dione
CID 14493358
(R)-phenyl-(2-phenyl-1,3-dioxolan-2-yl)methanol
CID 41097603
5-[hydroxy(phenyl)methyl]-1,3-dimethyl-5-phenylimidazolidine-2,4-dione
CID 14493359
(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one
CID 101389866
phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol
CID 12037703
2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide
CID 140562887
(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclohexan-1-one
CID 101389868
4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one
CID 124685403
3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 76975476

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one?
The IUPAC name of 2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one (CID 56691290) is 2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one is CN1CCOC(C)(C(O)c2ccccc2)C1=O.
What is the InChIKey of 2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one?
The InChIKey is ADDITWMNKOFOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(12(16)14(2)8-9-17-13)11(15)10-6-4-3-5-7-10/h3-7,11,15H,8-9H2,1-2H3.
What are the key properties of 2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one?
2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one has a molecular weight of 235.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one is sourced from PubChem (CID 56691290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).