(S,S)-(-)-Hydrobenzoin

C₁₄H₁₄O₂CAS 2325-10-2214.26 g/mol

Open in Covalent MOL file

Properties

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

Identifiers

CAS number

2325-10-2

SMILES

C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)O)O

InChIKey

IHPDTPWNFBQHEB-KBPBESRZSA-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-/m0/s1

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Names and synonyms

1 names

(1S,2S)-1,2-Diphenylethane-1,2-diol

Work with (S,S)-(-)-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

Similar compounds

(+)-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 (-)-Pseudoephedrine321-97-154 % similar (1R,2R)-2-Amino-1-phenyl-1,3-propanediol46032-98-854 % similar N-Methylephedrine552-79-454 % 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 α-Naphthyl butyrate3121-70-8 (R,R)-Hydrobenzoin52340-78-0 Rel-(1R,2S)-1,2-diphenyl-1,2-ethanediol579-43-1

Elsewhere

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