Dibenz[b,e]oxepin-11(6H)-one

C₁₄H₁₀O₂CAS 4504-87-4210.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₀O₂
Molar mass: 210.23 g/mol
Exact mass: 210.0681 Da
Melting point: 71–72 °C
logP: 2.81Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed20% of notifiers
H302 Harmful if swallowed40% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P301+P317, P321, P330, P405, P501

Identifiers

CAS number

4504-87-4

SMILES

O=C1c2ccccc2COc2ccccc21

InChIKey

YUSHFLBKQQILNV-UHFFFAOYSA-N

InChI

InChI=1S/C14H10O2/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8H,9H2

Weigh it out

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

Names and synonyms

1 names

6,11-Dihydrodibenz[b,e]oxepin-11-one

Work with Dibenz[b,e]oxepin-11(6H)-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

Dibenzosuberone1210-35-159 % similar Anthrone90-44-859 % similar Isoxepac55453-87-759 % similar Coumaranone7169-34-848 % similar Phthalide87-41-248 % similar Anthraquinone84-65-148 % similar 2-(Benzyloxy)benzoic acid14389-86-747 % similar 1-[2-(Benzyloxy)phenyl]ethan-1-one31165-67-047 % similar

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

Same formula

(1,1'-Biphenyl)-2,2'-dicarboxaldehyde1210-05-5 Benzil134-81-6 Fluorene-9-carboxylic acid1989-33-9 3-Phenylphthalide5398-11-8 9H-Fluorene-1-carboxylic acid6276-03-5 [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook