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

C10H12ClNO3 — CID 171185519

IUPAC(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2ccccc2O)CCO1
InChIInChI=1S/C10H11NO3.ClH/c12-9-4-2-1-3-7(9)8-5-6-14-10(13)11-8;/h1-4,8,12H,5-6H2,(H,11,13);1H/t8-;/m0./s1
InChIKeyVSLRJUPCRUKIFG-QRPNPIFTSA-N
MW229.66 g/mol
LogP1.99
Rot. Bonds1

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

(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171185519) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is (4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171185519
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2ccccc2O)CCO1
InChIInChI=1S/C10H11NO3.ClH/c12-9-4-2-1-3-7(9)8-5-6-14-10(13)11-8;/h1-4,8,12H,5-6H2,(H,11,13);1H/t8-;/m0./s1
InChIKeyVSLRJUPCRUKIFG-QRPNPIFTSA-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

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184835
(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184817
(4R)-4-(3-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184969
(4S)-4-(2,5-dihydroxyphenyl)-1,3-oxazinan-2-one
CID 131484936
(4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185028
(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
CID 131017344
(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520
(4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
CID 131484932
(4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184830
(4R)-4-(2-hydroxy-4-phenylmethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185405
(4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185965
(4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185449

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171185519) is (4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@H](c2ccccc2O)CCO1.
What is the InChIKey of (4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is VSLRJUPCRUKIFG-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H11NO3.ClH/c12-9-4-2-1-3-7(9)8-5-6-14-10(13)11-8;/h1-4,8,12H,5-6H2,(H,11,13);1H/t8-;/m0./s1.
What are the key properties of (4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4S)-4-(2-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-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171185519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).