2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one

C11H8ClNO3 — CID 135466709

IUPAC2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one
SMILESCc1c(O)nc(-c2ccc(Cl)cc2)oc1=O
InChIInChI=1S/C11H8ClNO3/c1-6-9(14)13-10(16-11(6)15)7-2-4-8(12)5-3-7/h2-5,14H,1H3
InChIKeyRDBXSJYMVOFHDF-UHFFFAOYSA-N
MW237.64 g/mol
LogP2.37
Rot. Bonds1

About 2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one

2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one (PubChem CID 135466709) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one
PubChem CID135466709
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one
SMILESCc1c(O)nc(-c2ccc(Cl)cc2)oc1=O
InChIInChI=1S/C11H8ClNO3/c1-6-9(14)13-10(16-11(6)15)7-2-4-8(12)5-3-7/h2-5,14H,1H3
InChIKeyRDBXSJYMVOFHDF-UHFFFAOYSA-N
XLogP2.37
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 4961939
6-chloro-2-[4-(6-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
CID 18432334
2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one
CID 71330911
2-bromo-1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 86674821
4-hydroxy-5-methyl-2-(trichloromethyl)-1,3-oxazin-6-one
CID 137304189
5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole
CID 14801704
5-chloro-2-phenyl-1,3-oxazol-4-ol
CID 141006928
2-(4-chlorophenyl)-1,3-benzoxazin-4-one
CID 754553
6-chloro-2-(4-methoxyphenyl)-3,1-benzoxazin-4-one
CID 2191162
N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide
CID 14269261
2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid
CID 59625768
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one?
The IUPAC name of 2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one (CID 135466709) is 2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one is Cc1c(O)nc(-c2ccc(Cl)cc2)oc1=O.
What is the InChIKey of 2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one?
The InChIKey is RDBXSJYMVOFHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-6-9(14)13-10(16-11(6)15)7-2-4-8(12)5-3-7/h2-5,14H,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one?
2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one has a molecular weight of 237.64 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one is sourced from PubChem (CID 135466709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).