chempirical

Methyl benzilate

C15H14O3CAS 76-89-1242.27 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C15H14O3
Molar mass
242.27 g/mol
Exact mass
242.0943 Da
Melting point
75.8 °C
Boiling point
187 °C (at 13 Torr)
logP
2.10Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
76-89-1
SMILES
COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIKey
LJFIHTFNTGQZJL-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,17H,1H3

Weigh it out

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

Names and synonyms

10 names
  • Benzeneacetic acid, α-hydroxy-α-phenyl-, methyl ester
  • Benzilic acid, methyl ester
  • Methyl diphenylglycolate
  • Methyl α-phenylmandelate
  • Methyl 2-hydroxy-2,2-diphenylacetate
  • Methyl hydroxydiphenylacetate
  • Methyl α-hydroxydiphenylacetate
  • NSC 57672
  • NSC 624
  • 2-Hydroxy-2,2-diphenylacetic acid methyl ester

Work with Methyl benzilate

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

Flurenol-methyl ester1216-44-065 % similar Ethyl benzilate52182-15-763 % similar Methyl α-hydroxy-α-2-thienyl-2-thiopheneacetate26447-85-857 % similar Methyl α-cyclopentyl-α-hydroxybenzeneacetate19833-96-655 % similar Methyl α-cyclohexyl-α-hydroxybenzeneacetate10399-13-054 % similar Chlorflurenol methyl2536-31-450 % similar Benactyzine hydrochloride57-37-449 % similar Diethylaminoethyl diphenylglycolate methobromide3166-62-948 % similar

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

Same formula

Mexenone1641-17-4 2-(Benzyloxy)phenylacetic acid22047-88-7 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-1 Fenoprofen31879-05-7 4-Methoxyresveratrol33626-08-3 Bis(phenylmethyl) carbonate3459-92-5 Pinostilbene42438-89-1 β-Lapachone4707-32-8

Elsewhere

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