3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one

C13H17NO3 — CID 117011618

IUPAC3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
SMILESCc1cccc(C)c1N1CCC(CO)OC1=O
InChIInChI=1S/C13H17NO3/c1-9-4-3-5-10(2)12(9)14-7-6-11(8-15)17-13(14)16/h3-5,11,15H,6-8H2,1-2H3
InChIKeyWXJNLKOZOYBSHS-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.01
Rot. Bonds2

About 3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one

3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one (PubChem CID 117011618) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
PubChem CID117011618
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
SMILESCc1cccc(C)c1N1CCC(CO)OC1=O
InChIInChI=1S/C13H17NO3/c1-9-4-3-5-10(2)12(9)14-7-6-11(8-15)17-13(14)16/h3-5,11,15H,6-8H2,1-2H3
InChIKeyWXJNLKOZOYBSHS-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011629
3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011660
1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one
CID 117014191
3-(2-ethyl-6-methylphenyl)-2-oxo-1,3-oxazinane-6-carbonitrile
CID 117010472
6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one
CID 117011000
6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one
CID 117011006
1-(2,6-dimethylphenyl)-4-hydroxypiperidin-2-one
CID 117014001
4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one
CID 117008392
[1-(2,6-dimethylphenyl)-2-oxopyrrolidin-3-yl]-trimethylazanium
CID 155692435
5-(hydroxymethyl)-3-(2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 19773689
(5R)-5-(hydroxymethyl)-3-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 69127864
1-(2,6-dimethylphenyl)-3-(1-ethylpyrrolidin-1-ium-1-yl)piperidin-2-one;yttrium
CID 158665564

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one (CID 117011618) is 3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one is Cc1cccc(C)c1N1CCC(CO)OC1=O.
What is the InChIKey of 3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one?
The InChIKey is WXJNLKOZOYBSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-4-3-5-10(2)12(9)14-7-6-11(8-15)17-13(14)16/h3-5,11,15H,6-8H2,1-2H3.
What are the key properties of 3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one?
3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one has a molecular weight of 235.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117011618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).