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

C12H15NO5 — CID 171185100

IUPAC(4R)-4-(2-hydroxy-4,6-dimethoxyphenyl)-1,3-oxazinan-2-one
SMILESCOc1cc(O)c([C@H]2CCOC(=O)N2)c(OC)c1
InChIInChI=1S/C12H15NO5/c1-16-7-5-9(14)11(10(6-7)17-2)8-3-4-18-12(15)13-8/h5-6,8,14H,3-4H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyVIPSMCCPEOKEOL-MRVPVSSYSA-N
MW253.25 g/mol
LogP1.58
Rot. Bonds3

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

(4R)-4-(2-hydroxy-4,6-dimethoxyphenyl)-1,3-oxazinan-2-one (PubChem CID 171185100) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is (4R)-4-(2-hydroxy-4,6-dimethoxyphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(2-hydroxy-4,6-dimethoxyphenyl)-1,3-oxazinan-2-one
PubChem CID171185100
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name(4R)-4-(2-hydroxy-4,6-dimethoxyphenyl)-1,3-oxazinan-2-one
SMILESCOc1cc(O)c([C@H]2CCOC(=O)N2)c(OC)c1
InChIInChI=1S/C12H15NO5/c1-16-7-5-9(14)11(10(6-7)17-2)8-3-4-18-12(15)13-8/h5-6,8,14H,3-4H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyVIPSMCCPEOKEOL-MRVPVSSYSA-N
XLogP1.58
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-azetidin-2-yl]-3,5-dimethoxyphenol;hydrochloride
CID 171196834
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184949
(4R)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,3-oxazinan-2-one
CID 171185353
(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one
CID 171185502
(4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185407
(4R)-4-(2-bromo-4,5-dimethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184854
(4R)-4-(4-bromo-2,5-dimethoxyphenyl)-1,3-oxazinan-2-one
CID 171185345
(4R)-4-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3-oxazinan-2-one
CID 171185420
(4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one
CID 131484934
(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520
(4S)-5,5-dimethyl-4-(2,4,6-trimethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187776
(4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185050

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-hydroxy-4,6-dimethoxyphenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(2-hydroxy-4,6-dimethoxyphenyl)-1,3-oxazinan-2-one (CID 171185100) is (4R)-4-(2-hydroxy-4,6-dimethoxyphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(2-hydroxy-4,6-dimethoxyphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(2-hydroxy-4,6-dimethoxyphenyl)-1,3-oxazinan-2-one is COc1cc(O)c([C@H]2CCOC(=O)N2)c(OC)c1.
What is the InChIKey of (4R)-4-(2-hydroxy-4,6-dimethoxyphenyl)-1,3-oxazinan-2-one?
The InChIKey is VIPSMCCPEOKEOL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-16-7-5-9(14)11(10(6-7)17-2)8-3-4-18-12(15)13-8/h5-6,8,14H,3-4H2,1-2H3,(H,13,15)/t8-/m1/s1.
What are the key properties of (4R)-4-(2-hydroxy-4,6-dimethoxyphenyl)-1,3-oxazinan-2-one?
(4R)-4-(2-hydroxy-4,6-dimethoxyphenyl)-1,3-oxazinan-2-one has a molecular weight of 253.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-hydroxy-4,6-dimethoxyphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 171185100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).