(4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one

C11H12FNO3 — CID 131252377

IUPAC(4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1cc(F)cc([C@H]2CCOC(=O)N2)c1O
InChIInChI=1S/C11H12FNO3/c1-6-4-7(12)5-8(10(6)14)9-2-3-16-11(15)13-9/h4-5,9,14H,2-3H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeySUKVELDAJJFFMA-SECBINFHSA-N
MW225.22 g/mol
LogP2.01
Rot. Bonds1

About (4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one

(4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one (PubChem CID 131252377) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is (4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
PubChem CID131252377
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name(4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1cc(F)cc([C@H]2CCOC(=O)N2)c1O
InChIInChI=1S/C11H12FNO3/c1-6-4-7(12)5-8(10(6)14)9-2-3-16-11(15)13-9/h4-5,9,14H,2-3H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeySUKVELDAJJFFMA-SECBINFHSA-N
XLogP2.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-(5-chloro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
CID 171185976
(4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
CID 131484932
(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one
CID 171185621
(4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131255263
(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184997
4-fluoro-2-methyl-6-[(3R)-morpholin-3-yl]phenol
CID 131254251
(4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185200
(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one
CID 171185070
(4S)-4-(2,5-dihydroxyphenyl)-1,3-oxazinan-2-one
CID 131484936
(4S)-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185659
(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519
(4S)-4-(2,6-difluoro-3-methylphenyl)-1,3-oxazinan-2-one
CID 171185840

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one (CID 131252377) is (4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one is Cc1cc(F)cc([C@H]2CCOC(=O)N2)c1O.
What is the InChIKey of (4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one?
The InChIKey is SUKVELDAJJFFMA-SECBINFHSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-6-4-7(12)5-8(10(6)14)9-2-3-16-11(15)13-9/h4-5,9,14H,2-3H2,1H3,(H,13,15)/t9-/m1/s1.
What are the key properties of (4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one?
(4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one has a molecular weight of 225.22 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 131252377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).