(R,R)-Hydrobenzoin

C₁₄H₁₄O₂CAS 52340-78-0214.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₄O₂
Molar mass: 214.26 g/mol
Exact mass: 214.0994 Da
Melting point: 146 °C
logP: 2.45Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: R, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

52340-78-0

SMILES

O[C@H](c1ccccc1)[C@H](O)c1ccccc1

InChIKey

IHPDTPWNFBQHEB-ZIAGYGMSSA-N

InChI

InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1

Weigh it out

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

Names and synonyms

15 names · show all

1,2-Ethanediol, 1,2-diphenyl-, (1R,2R)-
1,2-Ethanediol, 1,2-diphenyl-, [R-(R*,R*)]-
(1R,2R)-1,2-Diphenyl-1,2-ethanediol
(R,R)-(+)-1,2-Diphenyl-1,2-ethanediol
Isohydrobenzoin, (+)-
Hydrobenzoin, (+)-
(+)-1,2-Diphenyl-1,2-ethanediol
(R,R)-Stilbenediol
(R,R)-1,2-Diphenyl-1,2-ethanediol
(+)-Hydrobenzoin
(R,R)-(+)-Stilbenediol
(+)-(R,R)-Hydrobenzoin
(R,R)-(+)-Hydrobenzoin
(1R,2R)-1,2-Diphenylethanediol
(+)-Dihydrobenzoin

Reactions

Preparation of optically active (R,R)-hydrobenzoin from benzoin or benzil (1,2-Ethanediol, 1,2-diphenyl-, (1R,2R)-)product

Work with (R,R)-Hydrobenzoin

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.

(S,S)-(-)-Hydrobenzoin2325-10-2Enantiomer Hydrobenzoin655-48-1Stereo not defined Rel-(1R,2S)-1,2-Diphenyl-1,2-ethanediol579-43-1Diastereomer

Similar compounds

(R)-(+)-2-Methyl-1-phenyl-1-propanol14898-86-367 % similar (1R,2S)-2-Amino-1,2-diphenylethanol23190-16-164 % similar (1S,2R)-(+)-2-Amino-1,2-diphenylethanol23364-44-564 % similar (+)-Phenylpropanolamine37577-28-958 % similar (-)-Phenylpropanolamine492-41-158 % similar Diphenylmethanol91-01-058 % similar (1S,2S)-2-Amino-1-phenyl-1,3-propanediol28143-91-154 % similar Ephedrine299-42-354 % similar

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

Same formula

1,2-Diphenoxyethane104-66-5 4,4'-Bis(hydroxymethyl)biphenyl1667-12-5 3-(Phenylmethoxy)benzenemethanol1700-30-7 Ethyl 1-naphthylacetate2122-70-5 4,4'-Dimethoxybiphenyl2132-80-1 Alpha-Naphthyl butyrate3121-70-8 2,2'-Dimethoxybiphenyl4877-93-4

Elsewhere

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