4'-Benzyloxy-2-bromopropiophenone

C₁₆H₁₅BrO₂CAS 35081-45-9319.20 g/mol

Open in Covalent MOL file

Alkyl halide Ether Ketone

Properties

Molecular formula: C₁₆H₁₅BrO₂
Molar mass: 319.20 g/mol
Exact mass: 318.0255 Da
Melting point: 78–80 °C
logP: 4.23Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Hazards

Danger

H301 Toxic if swallowed10% of notifiers
H302 Harmful if swallowed30% of notifiers
H315 Causes skin irritation10% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H319 Causes serious eye irritation10% of notifiers
H335 May cause respiratory irritation10% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

35081-45-9

SMILES

CC(Br)C(=O)c1ccc(OCc2ccccc2)cc1

InChIKey

LSQLSCUJBXFBRB-UHFFFAOYSA-N

InChI

InChI=1S/C16H15BrO2/c1-12(17)16(18)14-7-9-15(10-8-14)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3

Weigh it out

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

Names and synonyms

8 names

2-Bromo-1-[4-(phenylmethoxy)phenyl]-1-propanone
1-Propanone, 2-bromo-1-[4-(phenylmethoxy)phenyl]-
Propiophenone, 4′-(benzyloxy)-2-bromo-
p-Benzyloxy-α-bromopropiophenone
4′-(Benzyloxy)-2-bromopropiophenone
2-Bromo-1-(4-benzyloxyphenyl)-1-propanone
NSC 321048
1-(4-Benzyloxyphenyl)-2-bromopropan-1-one

Work with 4'-Benzyloxy-2-bromopropiophenone

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

α-Bromopropiophenone2114-00-361 % similar 4-Benzyloxyacetophenone54696-05-859 % similar 4-Benzyloxybenzophenone54589-41-257 % similar Methyl 4-benzyloxybenzoate32122-11-557 % similar 1-[4-(Phenylmethoxy)phenyl]-1-propanone4495-66-357 % similar 4-(Benzyloxy)benzoyl chloride1486-50-655 % similar 4-(Benzyloxy)benzoic acid1486-51-755 % similar Ethyl 4-(phenylmethoxy)benzoate56441-55-553 % similar

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

Same formula

α-(2-Bromoethyl)-α-phenylbenzeneacetic acid37742-98-6

Elsewhere

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