1-[2-(Benzoyloxy)phenyl]ethanone

C₁₅H₁₂O₃CAS 4010-33-7240.26 g/mol

Open in Covalent MOL file

Ester Ketone

Properties

Molecular formula: C₁₅H₁₂O₃
Molar mass: 240.26 g/mol
Exact mass: 240.0786 Da
Melting point: 89 °C
logP: 3.11Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H400 Very toxic to aquatic life100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

4010-33-7

SMILES

CC(=O)c1ccccc1OC(=O)c1ccccc1

InChIKey

UEVPPUDQJRWOLT-UHFFFAOYSA-N

InChI

InChI=1S/C15H12O3/c1-11(16)13-9-5-6-10-14(13)18-15(17)12-7-3-2-4-8-12/h2-10H,1H3

Weigh it out

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

Names and synonyms

8 names

Ethanone, 1-[2-(benzoyloxy)phenyl]-
Acetophenone, 2′-hydroxy-, benzoate
2′-Benzoyloxyacetophenone
o-(Benzoyloxy)acetophenone
NSC 31880
2-Benzoyloxyphenyl methyl ketone
o-Acetylphenyl benzoate
2-Acetylphenyl benzoate

Work with 1-[2-(Benzoyloxy)phenyl]ethanone

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

Guaiacol benzoate531-37-360 % similar 2'-Methoxyacetophenone579-74-859 % similar 1-[2-(Benzyloxy)phenyl]ethan-1-one31165-67-055 % similar 1-(2-Ethoxyphenyl)ethanone2142-67-854 % similar 1,2-Diacetylbenzene704-00-753 % similar 2'-(Trifluoromethoxy)acetophenone220227-93-053 % similar Acetophenone98-86-252 % similar Phenyl benzoate93-99-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Flurenol-methyl ester1216-44-0 1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione1469-94-9 2′-Hydroxyflavanone17348-76-4 3-Benzoylbenzeneacetic acid22071-22-3 (±)-6-Hydroxyflavanone4250-77-5 Methyl o-benzoylbenzoate606-28-0 7-Hydroxyflavanone6515-36-2 4′-Hydroxyflavanone6515-37-3

Elsewhere

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