chempirical

Benzyl (2R)-hydroxy(phenyl)acetate

C15H14O3CAS 97415-09-3242.27 g/mol

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OOOH
AlcoholEster

Properties

Molecular formula
C15H14O3
Molar mass
242.27 g/mol
Exact mass
242.0943 Da
logP
2.46Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

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
97415-09-3
SMILES
C1=CC=C(C=C1)COC(=O)[C@@H](C2=CC=CC=C2)O
InChIKey
JFKWZVQEMSKSBU-CQSZACIVSA-N
InChI
InChI=1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2/t14-/m1/s1

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Names and synonyms

1 names
  • D-(-)-Mandelic acid benzyl ester

Work with Benzyl (2R)-hydroxy(phenyl)acetate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Benzyl (2S)-hydroxy(phenyl)acetate62173-99-3Enantiomer

Similar compounds

L-Tartaric acid dibenzyl ester622-00-468 % similar (-)-Ethyl mandelate10606-72-167 % similar L-(+)-Mandelic acid ethyl ester13704-09-167 % similar (±)-Ethyl mandelate4358-88-767 % similar (±)-Ethyl mandelate774-40-367 % similar Benzyl (2S)-2-hydroxypropanoate56777-24-362 % similar 1-(Phenylmethyl) 2-phenylpropanedioate25774-02-162 % similar Benzyl 3-hydroxycyclobutane-1-carboxylate480449-99-861 % 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 4'-Benzyloxy-2'-hydroxyacetophenone29682-12-0 1-(5-(Benzyloxy)-2-hydroxyphenyl)ethanone30992-63-3 Fenoprofen31879-05-7 Methyl 4-benzyloxybenzoate32122-11-5 4-Methoxyresveratrol33626-08-3

Elsewhere

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