2-Methoxy-1-phenylethanone

C₉H₁₀O₂CAS 4079-52-1150.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₀O₂
Molar mass: 150.18 g/mol
Exact mass: 150.0681 Da
Density: 1.093 g/mL (at 21.2 °C)
Melting point: 8 °C
Boiling point: 245 °C
logP: 1.52Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
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 the 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

4079-52-1

SMILES

COCC(=O)c1ccccc1

InChIKey

YRNDGUSDBCARGC-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3

Weigh it out

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

Names and synonyms

10 names

Ethanone, 2-methoxy-1-phenyl-
Acetophenone, 2-methoxy-
α-Methoxyacetophenone
ω-Methoxyacetophenone
2-Methoxyacetophenone
Methoxymethyl phenyl ketone
NSC 227212
NSC 354
Phenyl methoxymethyl ketone
2-Methoxy-1-phenylethan-1-one

Reactions

ω-METHOXYACETOPHENONE (Acetophenone, ω-methoxy-)product

Work with 2-Methoxy-1-phenylethanone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Phenoxy-1-phenylethanone721-04-060 % similar 2-(Acetyloxy)-1-phenylethanone2243-35-859 % similar 1,4-Diphenyl-1,4-butanedione495-71-656 % similar Propiophenone93-55-055 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-052 % similar 2-Aminoacetophenone613-89-852 % similar Butyrophenone495-40-952 % similar 2-Fluoro-1-phenylethanone450-95-350 % similar

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

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 2-Phenylethyl formate104-62-1 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1

Elsewhere

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