Ethyl benzilate

C16H16O3CAS 52182-15-7256.30 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C16H16O3
Molar mass
256.30 g/mol
Exact mass
256.1099 Da
Melting point
34 °C
Boiling point
105 °C (at 0.02 Torr)
logP
2.49Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 40 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
52182-15-7
SMILES
CCOC(=O)C(O)(c1ccccc1)c1ccccc1
InChIKey
AIPVNQQMYPWQSX-UHFFFAOYSA-N
InChI
InChI=1S/C16H16O3/c1-2-19-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,18H,2H2,1H3

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Names and synonyms

6 names
  • Benzeneacetic acid, α-hydroxy-α-phenyl-, ethyl ester
  • Benzilic acid, ethyl ester
  • Ethyl diphenylglycolate
  • Ethyl α-phenylmandelate
  • NSC 62707
  • Ethyl 2-hydroxy-2,2-diphenylacetate

Work with Ethyl 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

Chlorobenzilate510-15-670 % similar Ethyl 2-phenylisobutyrate2901-13-564 % similar Methyl benzilate76-89-163 % similar (Alpha,alpha-difluoro)phenylacetic acid ethyl ester2248-46-662 % similar Ethyl α,α-dichlorobenzeneacetate5317-66-862 % similar 1,3-Diethyl 2-ethyl-2-phenylpropanedioate76-67-562 % similar Benactyzine hydrochloride57-37-459 % similar Diethylaminoethyl diphenylglycolate methobromide3166-62-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Bis(4-methoxyphenyl)ethanone120-44-5 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-6 2,2-Dimethoxy-2-phenylacetophenone24650-42-8 Pterostilbene537-42-8 Ethyl 4-(phenylmethoxy)benzoate56441-55-5 4-Benzyloxy-3-ethoxybenzaldehyde60186-33-6 4-Benzyloxyphenylacetic acid methyl ester68641-16-7 Ethyl 4'-methoxy[1,1'-biphenyl]-4-carboxylate732-80-9

Elsewhere

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