5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one

C11H13NO3 — CID 105460096

IUPAC5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one
SMILESCC1(c2cccc(O)c2)CNC(=O)OC1
InChIInChI=1S/C11H13NO3/c1-11(6-12-10(14)15-7-11)8-3-2-4-9(13)5-8/h2-5,13H,6-7H2,1H3,(H,12,14)
InChIKeyFKPPEOPDJKBQHZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.39
Rot. Bonds1

About 5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one

5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one (PubChem CID 105460096) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one
PubChem CID105460096
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one
SMILESCC1(c2cccc(O)c2)CNC(=O)OC1
InChIInChI=1S/C11H13NO3/c1-11(6-12-10(14)15-7-11)8-3-2-4-9(13)5-8/h2-5,13H,6-7H2,1H3,(H,12,14)
InChIKeyFKPPEOPDJKBQHZ-UHFFFAOYSA-N
XLogP1.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-(3-hydroxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186127
3-(2-methylmorpholin-2-yl)phenol
CID 175042314
2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride
CID 115036395
(2S,4S)-4-(3-hydroxyphenyl)-4-methylpiperidine-2-carboxylic acid
CID 124636179
1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 131320664
3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride
CID 117228463
4-(4-hydroxyphenyl)-4-methyloxolan-2-one
CID 105445803
3-[(3R)-1,3-dimethylazepan-3-yl]phenol
CID 143979161
3-[(3S)-1,3-dimethylazepan-3-yl]phenol
CID 143979159
3-(1-bicyclo[1.1.1]pentanyl)phenol
CID 122235352
3-(1-amino-3-hydroxy-3-methylcyclobutyl)phenol
CID 115019423
ethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 143450004

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one?
The IUPAC name of 5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one (CID 105460096) is 5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one?
The canonical SMILES for 5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one is CC1(c2cccc(O)c2)CNC(=O)OC1.
What is the InChIKey of 5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one?
The InChIKey is FKPPEOPDJKBQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-11(6-12-10(14)15-7-11)8-3-2-4-9(13)5-8/h2-5,13H,6-7H2,1H3,(H,12,14).
What are the key properties of 5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one?
5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 105460096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).