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

C11H13NO3 — CID 131484932

IUPAC(4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1cccc([C@H]2CCOC(=O)N2)c1O
InChIInChI=1S/C11H13NO3/c1-7-3-2-4-8(10(7)13)9-5-6-15-11(14)12-9/h2-4,9,13H,5-6H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeySQDOXDDDTLQGRD-SECBINFHSA-N
MW207.23 g/mol
LogP1.87
Rot. Bonds1

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

(4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one (PubChem CID 131484932) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
PubChem CID131484932
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1cccc([C@H]2CCOC(=O)N2)c1O
InChIInChI=1S/C11H13NO3/c1-7-3-2-4-8(10(7)13)9-5-6-15-11(14)12-9/h2-4,9,13H,5-6H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeySQDOXDDDTLQGRD-SECBINFHSA-N
XLogP1.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.87
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-(3-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184969
(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519
(4S)-4-(5-chloro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
CID 171185976
(4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
CID 131252377
(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184393
(4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one
CID 171184846
(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
CID 131017344
(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-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131255263
(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520
(4R)-4-pyren-1-yl-1,3-oxazinan-2-one;hydrochloride
CID 171185446

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one (CID 131484932) is (4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one is Cc1cccc([C@H]2CCOC(=O)N2)c1O.
What is the InChIKey of (4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one?
The InChIKey is SQDOXDDDTLQGRD-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-3-2-4-8(10(7)13)9-5-6-15-11(14)12-9/h2-4,9,13H,5-6H2,1H3,(H,12,14)/t9-/m1/s1.
What are the key properties of (4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one?
(4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 131484932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).