4-Benzyloxyanisole

C14H14O2CAS 6630-18-8214.26 g/mol

Open in Covalent MOL file
OO
Ether

Properties

Molecular formula
C14H14O2
Molar mass
214.26 g/mol
Exact mass
214.0994 Da
logP
3.27Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)Environmental Hazard (GHS09)

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

Precautionary statements

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

Identifiers

CAS number
6630-18-8
SMILES
COC1=CC=C(C=C1)OCC2=CC=CC=C2
InChIKey
YXPFQYIWXTVCKV-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O2/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3

Weigh it out

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

Work with 4-Benzyloxyanisole

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 4-Benzyloxyiodobenzene19578-68-860 % similar 1-Fluoro-4-(phenylmethoxy)benzene370-78-560 % 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

1,2-Diphenoxyethane104-66-5 4,4'-Bis(hydroxymethyl)biphenyl1667-12-5 3-(Phenylmethoxy)benzenemethanol1700-30-7 Ethyl 1-naphthylacetate2122-70-5 4,4'-Dimethoxybiphenyl2132-80-1 (S,S)-(-)-Hydrobenzoin2325-10-2 Alpha-Naphthyl butyrate3121-70-8 2,2'-Dimethoxybiphenyl4877-93-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook