(4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride

C12H16ClNO3 — CID 171185050

IUPAC(4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCOc1cc([C@H]2CCOC(=O)N2)ccc1C.Cl
InChIInChI=1S/C12H15NO3.ClH/c1-8-3-4-9(7-11(8)15-2)10-5-6-16-12(14)13-10;/h3-4,7,10H,5-6H2,1-2H3,(H,13,14);1H/t10-;/m1./s1
InChIKeyONNAHZMCRCYFOS-HNCPQSOCSA-N
MW257.72 g/mol
LogP2.60
Rot. Bonds2

About (4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride

(4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171185050) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is (4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171185050
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name(4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCOc1cc([C@H]2CCOC(=O)N2)ccc1C.Cl
InChIInChI=1S/C12H15NO3.ClH/c1-8-3-4-9(7-11(8)15-2)10-5-6-16-12(14)13-10;/h3-4,7,10H,5-6H2,1-2H3,(H,13,14);1H/t10-;/m1./s1
InChIKeyONNAHZMCRCYFOS-HNCPQSOCSA-N
XLogP2.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185245
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184949
(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one
CID 171185502
(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one
CID 171185070
(4R)-4-(3-methoxy-4-methylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188110
(4S)-4-(4-methyl-3-nitrophenyl)-1,3-oxazinan-2-one
CID 171185750
(4R)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,3-oxazinan-2-one
CID 171185353
(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520
(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171185570
(4S)-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185659
(4R)-4-(2-bromo-4,5-dimethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184854
(4S)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129373304

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171185050) is (4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride is COc1cc([C@H]2CCOC(=O)N2)ccc1C.Cl.
What is the InChIKey of (4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is ONNAHZMCRCYFOS-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H15NO3.ClH/c1-8-3-4-9(7-11(8)15-2)10-5-6-16-12(14)13-10;/h3-4,7,10H,5-6H2,1-2H3,(H,13,14);1H/t10-;/m1./s1.
What are the key properties of (4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171185050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).