4'-Methoxy-2-phenylacetophenone

C₁₅H₁₄O₂CAS 1023-17-2226.27 g/mol

Open in Covalent MOL file

Ether Ketone

Properties

Molecular formula: C₁₅H₁₄O₂
Molar mass: 226.27 g/mol
Exact mass: 226.0994 Da
logP: 3.12Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1023-17-2

SMILES

COC1=CC=C(C=C1)C(=O)CC2=CC=CC=C2

InChIKey

PLALKSRAHVYFOH-UHFFFAOYSA-N

InChI

InChI=1S/C15H14O2/c1-17-14-9-7-13(8-10-14)15(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.

Names and synonyms

1 names

1-(4-Methoxyphenyl)-2-phenylethan-1-one

Work with 4'-Methoxy-2-phenylacetophenone

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

1,2-Bis(4-methoxyphenyl)ethanone120-44-584 % similar 2-Phenylacetophenone451-40-165 % similar 2-Amino-4'-methoxyacetophenone40513-43-763 % similar 1-(4-Methoxyphenyl)-1-propanone121-97-160 % similar 1-(4-Chlorophenyl)-2-phenylethanone1889-71-058 % similar 1-(4-Bromophenyl)-2-phenylethanone2001-29-858 % similar 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-858 % similar 4-Methoxyphenacyl bromide2632-13-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl 4-benzyloxybenzaldehyde101093-56-5 p-Cresyl phenylacetate101-94-0 Benzyl phenylacetate102-16-9 Methyl 4′-methylbiphenyl-2-carboxylate114772-34-8 3',4'-Dimethyl-biphenyl-4-carboxylic acid122294-09-1 1-[2-(Benzyloxy)phenyl]ethan-1-one31165-67-0 1-(3-(Phenylmethoxy)phenyl)ethan-1-one34068-01-4 Methyl alpha-phenylbenzeneacetate3469-00-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook