(4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride

C10H12ClNO3 — CID 171185449

IUPAC(4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2cccc(O)c2)CCO1
InChIInChI=1S/C10H11NO3.ClH/c12-8-3-1-2-7(6-8)9-4-5-14-10(13)11-9;/h1-3,6,9,12H,4-5H2,(H,11,13);1H/t9-;/m0./s1
InChIKeyJBJOAGMPKICNRC-FVGYRXGTSA-N
MW229.66 g/mol
LogP1.99
Rot. Bonds1

About (4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride

(4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171185449) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is (4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171185449
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name(4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2cccc(O)c2)CCO1
InChIInChI=1S/C10H11NO3.ClH/c12-8-3-1-2-7(6-8)9-4-5-14-10(13)11-9;/h1-3,6,9,12H,4-5H2,(H,11,13);1H/t9-;/m0./s1
InChIKeyJBJOAGMPKICNRC-FVGYRXGTSA-N
XLogP1.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride 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

(4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one
CID 131484934
(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
CID 130642910
(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171185570
(4S)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 171185732
(4R)-4-(3-hydroxyphenyl)imidazolidin-2-one
CID 131198796
4-(3-hydroxyphenyl)-1,3-diazinan-2-one
CID 105445856
(4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131255263
(4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131593675
(4S)-4-(2,5-dihydroxyphenyl)-1,3-oxazinan-2-one
CID 131484936
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184949
(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519
(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171184906

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171185449) is (4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@H](c2cccc(O)c2)CCO1.
What is the InChIKey of (4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is JBJOAGMPKICNRC-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H11NO3.ClH/c12-8-3-1-2-7(6-8)9-4-5-14-10(13)11-9;/h1-3,6,9,12H,4-5H2,(H,11,13);1H/t9-;/m0./s1.
What are the key properties of (4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 229.66 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171185449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).