4-Benzyloxyiodobenzene

C₁₃H₁₁IOCAS 19578-68-8310.13 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₃H₁₁IO
Molar mass: 310.13 g/mol
Exact mass: 309.9855 Da
logP: 3.87Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

19578-68-8

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)I

InChIKey

MPWFGAWFTAZWKZ-UHFFFAOYSA-N

InChI

InChI=1S/C13H11IO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2

Weigh it out

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

Names and synonyms

1 names

1-(Benzyloxy)-4-iodobenzene

Work with 4-Benzyloxyiodobenzene

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

Hydroquinone dibenzyl ether621-91-075 % similar Benzyl phenyl ether946-80-568 % similar 4-Benzyloxyaniline6373-46-262 % similar Monobenzone103-16-260 % similar 1-Fluoro-4-(phenylmethoxy)benzene370-78-560 % similar 4-Benzyloxyanisole6630-18-860 % similar 1-Bromo-4-phenylmethoxybenzene6793-92-660 % similar 4-Benzyloxychlorobenzene7700-27-860 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Iodobenzyloxybenzene107623-21-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook