2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one

C14H9NO3 — CID 135685723

IUPAC2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
SMILESO=c1nc(-c2ccccc2O)oc2ccccc12
InChIInChI=1S/C14H9NO3/c16-11-7-3-1-5-9(11)14-15-13(17)10-6-2-4-8-12(10)18-14/h1-8,16H
InChIKeyNSWIROGSZPXREF-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.56
Rot. Bonds1

About 2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one

2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one (PubChem CID 135685723) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
PubChem CID135685723
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
SMILESO=c1nc(-c2ccccc2O)oc2ccccc12
InChIInChI=1S/C14H9NO3/c16-11-7-3-1-5-9(11)14-15-13(17)10-6-2-4-8-12(10)18-14/h1-8,16H
InChIKeyNSWIROGSZPXREF-UHFFFAOYSA-N
XLogP2.56
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-hydroxyphenyl)-1,3-benzoxazin-4-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

2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one
CID 68742008
2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one
CID 135763141
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
CID 135749803
bis(2-benzo[e][1,3]benzoxazol-2-ylphenol);palladium
CID 139246627
2-(4-chlorophenyl)-1,3-benzoxazin-4-one
CID 754553
2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 135957253
2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc
CID 152729544
5-(4-oxo-1,3-benzoxazin-2-yl)isoindole-1,3-dione
CID 68786236
2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol
CID 135975699
5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 163113225

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one (CID 135685723) is 2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one is O=c1nc(-c2ccccc2O)oc2ccccc12.
What is the InChIKey of 2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one?
The InChIKey is NSWIROGSZPXREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-11-7-3-1-5-9(11)14-15-13(17)10-6-2-4-8-12(10)18-14/h1-8,16H.
What are the key properties of 2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one?
2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one has a molecular weight of 239.23 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one is sourced from PubChem (CID 135685723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).