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

C₁₄H₉NO₃CAS 1218-69-5239.23 g/mol

Open in Covalent MOL file

Phenol

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

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation25% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation25% of notifiers
H410 Very toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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-Dibenzofuranol33483-06-643 % similar 1,4-Bis(2-benzoxazolyl)naphthalene5089-22-541 % similar (1,1'-Biphenyl)-2,2'-diol1806-29-738 % similar Xanthone90-47-137 % similar 3',4'-Dihydroxyflavone4143-64-037 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Amino-4-hydroxyanthraquinone116-85-8 10-Nitroanthrone6313-44-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook