4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one

C11H13NO3 — CID 105460035

IUPAC4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one
SMILESCN1C(=O)OCCC1c1ccccc1O
InChIInChI=1S/C11H13NO3/c1-12-9(6-7-15-11(12)14)8-4-2-3-5-10(8)13/h2-5,9,13H,6-7H2,1H3
InChIKeyVYXITORFILMHBA-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.91
Rot. Bonds1

About 4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one

4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one (PubChem CID 105460035) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one
PubChem CID105460035
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one
SMILESCN1C(=O)OCCC1c1ccccc1O
InChIInChI=1S/C11H13NO3/c1-12-9(6-7-15-11(12)14)8-4-2-3-5-10(8)13/h2-5,9,13H,6-7H2,1H3
InChIKeyVYXITORFILMHBA-UHFFFAOYSA-N
XLogP1.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one
CID 102418176
(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519
4-(2-hydroxyphenyl)-3-methyl-4,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazin-2-one
CID 12638728
4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one
CID 117011328
4-ethynyl-3-methyl-1,3-oxazinan-2-one
CID 89442280
4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one
CID 83855912
2,5-bis(2-hydroxyphenyl)cyclopentan-1-one
CID 18760303
2-(4-methylmorpholin-2-yl)phenol
CID 82278561
(6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one
CID 102448101
methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692790
3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one
CID 105477050
2-(dioxiran-3-yl)phenol
CID 87283547

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one?
The IUPAC name of 4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one (CID 105460035) is 4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for 4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one?
The canonical SMILES for 4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one is CN1C(=O)OCCC1c1ccccc1O.
What is the InChIKey of 4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one?
The InChIKey is VYXITORFILMHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-12-9(6-7-15-11(12)14)8-4-2-3-5-10(8)13/h2-5,9,13H,6-7H2,1H3.
What are the key properties of 4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one?
4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 105460035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).