4-(Benzyloxy)benzoyl chloride

C₁₄H₁₁ClO₂CAS 1486-50-6246.69 g/mol

Open in Covalent MOL file

Acyl halide Ether

Properties

Molecular formula: C₁₄H₁₁ClO₂
Molar mass: 246.69 g/mol
Exact mass: 246.0448 Da
logP: 3.64Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H400 Very toxic to aquatic life90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, P501

Identifiers

CAS number

1486-50-6

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)Cl

InChIKey

ICEKEZSKMGHZNT-UHFFFAOYSA-N

InChI

InChI=1S/C14H11ClO2/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2

Weigh it out

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

Names and synonyms

1 names

4-Benzyloxybenzoylchloride

Work with 4-(Benzyloxy)benzoyl chloride

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

4-Benzyloxybenzophenone54589-41-266 % similar 4-(Benzyloxy)benzoic acid1486-51-762 % similar 4-Benzyloxyacetophenone54696-05-862 % similar Methyl 4-benzyloxybenzoate32122-11-561 % similar 1-[4-(Phenylmethoxy)phenyl]-1-propanone4495-66-361 % similar Hydroquinone dibenzyl ether621-91-060 % similar 4-Ethoxybenzoyl chloride16331-46-758 % similar 4-Benzyloxybenzhydrazide128958-65-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-[(2-Chlorobenzyl)oxy]benzaldehyde53389-99-4

Elsewhere

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