chempirical

Methyl alpha-phenylbenzeneacetate

C15H14O2CAS 3469-00-9226.28 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C15H14O2
Molar mass
226.28 g/mol
Exact mass
226.0994 Da
Melting point
39–43 °C
Boiling point
136–141 °C (at 0.8 Torr)
logP
2.99Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3469-00-9
SMILES
COC(=O)C(c1ccccc1)c1ccccc1
InChIKey
AORIUCNKPVHMTN-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c1-17-15(16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3

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Names and synonyms

8 names
  • Methyl α-phenylbenzeneacetate
  • Benzeneacetic acid, α-phenyl-, methyl ester
  • Acetic acid, diphenyl-, methyl ester
  • Diphenylacetic acid, methyl ester
  • Methyl diphenylacetate
  • Methyl 2,2-diphenylacetate
  • NSC 120416
  • NSC 27912

Work with Methyl alpha-phenylbenzeneacetate

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

Methyl (R)-(-)-mandelate20698-91-365 % similar Methyl (2S)-2-hydroxy-2-phenylacetate21210-43-565 % similar (±)-Methyl mandelate4358-87-665 % similar Methyl 2-phenylacetoacetate16648-44-561 % similar Methyl formylphenylacetate5894-79-161 % similar H-Phg-ome hcl15028-39-459 % similar D-Phenylglycine methyl ester hydrochloride19883-41-159 % similar Methyl 2-(triphenylphosphoranyl)propanoate2689-62-551 % 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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