3-Benzyloxybenzyl bromide

C₁₄H₁₃BrOCAS 1700-31-8277.16 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₄H₁₃BrO
Molar mass: 277.16 g/mol
Exact mass: 276.0150 Da
Melting point: 54–55 °C
logP: 4.16Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Identifiers

CAS number

1700-31-8

SMILES

BrCc1cccc(OCc2ccccc2)c1

InChIKey

ITJWNXBZSFIJTP-UHFFFAOYSA-N

InChI

InChI=1S/C14H13BrO/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9H,10-11H2

Weigh it out

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

Names and synonyms

4 names

Benzene, 1-(bromomethyl)-3-(phenylmethoxy)-
Ether, benzyl α-bromo-m-tolyl
1-(Bromomethyl)-3-(phenylmethoxy)benzene
1-Benzyloxy-3-bromomethylbenzene

Work with 3-Benzyloxybenzyl bromide

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

3-Phenoxybenzyl bromide51632-16-768 % similar 3-(Phenylmethoxy)benzenemethanol1700-30-764 % similar 1-Benzyloxy-3-bromobenzene53087-13-164 % similar 3-(Phenylmethoxy)benzeneacetonitrile20967-96-860 % similar 1-Iodo-3-(phenylmethoxy)benzene107623-21-259 % similar 3-(Benzyloxy)aniline1484-26-059 % similar Benzyl 2-naphthyl ether613-62-758 % similar Hydroquinone dibenzyl ether621-91-055 % similar

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

Same formula

4-Benzyloxy-1-bromo-2-methylbenzene17671-75-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook