2-(2-Hydroxyphenyl)-4H-1,3-benzoxazin-4-one

C₁₄H₉NO₃CAS 1218-69-5239.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₉NO₃
Molar mass: 239.23 g/mol
Exact mass: 239.0582 Da
logP: 2.56Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

1218-69-5

SMILES

C1=CC=C(C(=C1)C2=NC(=O)C3=CC=CC=C3O2)O

InChIKey

NSWIROGSZPXREF-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-(2-Hydroxyphenyl)-4H-1,3-benzoxazin-4-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(2-Hydroxyphenyl)benzoxazole835-64-361 % similar 4-Hydroxycoumarin1076-38-644 % similar 2H-1,3-Benzoxazine-2,4(3H)-dione2037-95-843 % similar 1,4-Bis(2-benzoxazolyl)naphthalene5089-22-541 % similar 2,2'-Biphenol1806-29-738 % similar 3′,4′-Dihydroxyflavone4143-64-037 % similar Dicoumarol66-76-235 % similar Dibenzofuran132-64-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Amino-4-hydroxyanthraquinone116-85-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook