p-Cresyl phenylacetate

C15H14O2CAS 101-94-0226.28 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
74–75 °C
Boiling point
310 °C
logP
3.14Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS by 1,558 ECHA notifiers. Aggregated from 1,558 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
101-94-0
SMILES
Cc1ccc(OC(=O)Cc2ccccc2)cc1
InChIKey
OJEQSSJFSNLMLB-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3

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Names and synonyms

8 names
  • Benzeneacetic acid, 4-methylphenyl ester
  • Acetic acid, phenyl-, p-tolyl ester
  • p-Cresyl α-toluate
  • p-Tolyl phenylacetate
  • p-Tolyl α-toluate
  • NSC 5981
  • p-Cresyl 2-phenylacetate
  • (4-Methylphenyl) 2-phenylacetate

Work with p-Cresyl phenylacetate

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

p-Tolylacetic acid methyl ester23786-13-256 % similar p-Cresyl isovalerate55066-56-355 % similar Methyl phenylacetate101-41-754 % similar Ethyl p-tolylacetate14062-19-253 % similar Ethyl phenylacetate101-97-351 % similar 4-Methylphenyl octanoate59558-23-551 % similar Diphenyl succinate621-14-750 % similar 4-Benzyloxyphenylacetic acid methyl ester68641-16-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl 4-benzyloxybenzaldehyde101093-56-5 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 Methyl alpha-phenylbenzeneacetate3469-00-9

Elsewhere

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