(4R)-4-(4-hydroxy-2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one

C14H19NO5 — CID 171186447

IUPAC(4R)-4-(4-hydroxy-2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCOc1cc(O)cc(OC)c1[C@@H]1NC(=O)OCC1(C)C
InChIInChI=1S/C14H19NO5/c1-14(2)7-20-13(17)15-12(14)11-9(18-3)5-8(16)6-10(11)19-4/h5-6,12,16H,7H2,1-4H3,(H,15,17)/t12-/m0/s1
InChIKeyMDHSVGRINBSDTG-LBPRGKRZSA-N
MW281.31 g/mol
LogP2.22
Rot. Bonds3

About (4R)-4-(4-hydroxy-2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one

(4R)-4-(4-hydroxy-2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one (PubChem CID 171186447) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (4R)-4-(4-hydroxy-2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(4-hydroxy-2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
PubChem CID171186447
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(4R)-4-(4-hydroxy-2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCOc1cc(O)cc(OC)c1[C@@H]1NC(=O)OCC1(C)C
InChIInChI=1S/C14H19NO5/c1-14(2)7-20-13(17)15-12(14)11-9(18-3)5-8(16)6-10(11)19-4/h5-6,12,16H,7H2,1-4H3,(H,15,17)/t12-/m0/s1
InChIKeyMDHSVGRINBSDTG-LBPRGKRZSA-N
XLogP2.22
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-5,5-dimethyl-4-(2,4,6-trimethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187776
(4R)-5,5-dimethyl-4-(2,4,6-trihydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187522
(4R)-4-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187429
(4R)-4-(3-methoxy-4-methylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188110
(4R)-4-(2-hydroxy-4-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186427
(4R)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188808
(4S)-4-(4-bromo-2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188765
(4R)-4-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186269
(4S)-5,5-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazinan-2-one
CID 171188455
(4R)-5,5-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazinan-2-one
CID 171187073
(4S)-4-(2-hydroxy-4-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187768
(4R)-4-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188546

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-hydroxy-2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(4-hydroxy-2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one (CID 171186447) is (4R)-4-(4-hydroxy-2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(4-hydroxy-2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(4-hydroxy-2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one is COc1cc(O)cc(OC)c1[C@@H]1NC(=O)OCC1(C)C.
What is the InChIKey of (4R)-4-(4-hydroxy-2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one?
The InChIKey is MDHSVGRINBSDTG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2)7-20-13(17)15-12(14)11-9(18-3)5-8(16)6-10(11)19-4/h5-6,12,16H,7H2,1-4H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (4R)-4-(4-hydroxy-2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one?
(4R)-4-(4-hydroxy-2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one has a molecular weight of 281.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-hydroxy-2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 171186447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).