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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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).