chempirical

Methyl benzoin

C15H14O2CAS 3524-62-7226.28 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C15H14O2
Molar mass
226.28 g/mol
Exact mass
226.0994 Da
Density
1.21 g/mL
Melting point
49.5 °C
Boiling point
192 °C (at 1 Torr)
logP
3.26Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
3524-62-7
SMILES
COC(C(=O)c1ccccc1)c1ccccc1
InChIKey
BQZJOQXSCSZQPS-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,15H,1H3

Weigh it out

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Names and synonyms

17 names · show all
  • (±)-Benzoin methyl ether
  • Ethanone, 2-methoxy-1,2-diphenyl-
  • Acetophenone, 2-methoxy-2-phenyl-
  • 2-Methoxy-1,2-diphenylethanone
  • Benzoin methyl ether
  • 2-Methoxy-2-phenylacetophenone
  • O-Methylbenzoin
  • α-Methoxybenzyl phenyl ketone
  • QCU 3
  • 2-Methoxy-1,2-diphenyl-1-ethanone
  • α-Methoxydeoxybenzoin
  • Nisso cure MBO
  • Dl-Benzoin methyl ether
  • (RS)-Benzoin methyl ether
  • PS 96
  • α-Methoxy-α-phenylacetophenone
  • NSC 76550

Work with Methyl benzoin

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

Benzoin isopropyl ether6652-28-465 % similar Benzoin acetate574-06-163 % similar (±)-Benzoin ethyl ether574-09-463 % similar Benzoin isobutyl ether22499-12-359 % similar (+)-Methoxyphenylacetic acid26164-26-159 % similar (R)-(-)-Alpha-methoxyphenylacetic acid3966-32-359 % similar Methoxyphenylacetic acid7021-09-259 % similar Desyl chloride447-31-452 % 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 4'-Methoxy-2-phenylacetophenone1023-17-2 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

Elsewhere

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