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

C10H11BrClNO3 — CID 171185028

IUPAC(4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccc(Br)cc2O)CCO1
InChIInChI=1S/C10H10BrNO3.ClH/c11-6-1-2-7(9(13)5-6)8-3-4-15-10(14)12-8;/h1-2,5,8,13H,3-4H2,(H,12,14);1H/t8-;/m1./s1
InChIKeyOMWMATMKIPNZLU-DDWIOCJRSA-N
MW308.56 g/mol
LogP2.75
Rot. Bonds1

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

(4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171185028) has the molecular formula C10H11BrClNO3 and a molecular weight of 308.56 g/mol. Its IUPAC name is (4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171185028
Molecular FormulaC10H11BrClNO3
Molecular Weight308.56 g/mol
Exact Mass306.96
IUPAC Name(4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccc(Br)cc2O)CCO1
InChIInChI=1S/C10H10BrNO3.ClH/c11-6-1-2-7(9(13)5-6)8-3-4-15-10(14)12-8;/h1-2,5,8,13H,3-4H2,(H,12,14);1H/t8-;/m1./s1
InChIKeyOMWMATMKIPNZLU-DDWIOCJRSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 52.75
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-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184995
(4S)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one
CID 131592741
(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519
(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)imidazolidin-2-one
CID 130619455
(4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184970
(4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171185142
(4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185097
(4R)-4-(2-hydroxy-4-phenylmethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185405
(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184817
(4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131255263

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171185028) is (4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@@H](c2ccc(Br)cc2O)CCO1.
What is the InChIKey of (4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is OMWMATMKIPNZLU-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H10BrNO3.ClH/c11-6-1-2-7(9(13)5-6)8-3-4-15-10(14)12-8;/h1-2,5,8,13H,3-4H2,(H,12,14);1H/t8-;/m1./s1.
What are the key properties of (4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 308.56 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171185028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).