chempirical

Hydrobenzoin

C14H14O2CAS 655-48-1214.26 g/mol

Open in Covalent MOL file
OHOH
Alcohol

Properties

Molecular formula
C14H14O2
Molar mass
214.26 g/mol
Exact mass
214.0994 Da
logP
2.45Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

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
655-48-1
SMILES
C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O
InChIKey
IHPDTPWNFBQHEB-UHFFFAOYSA-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

Weigh it out

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Names and synonyms

1 names
  • (+/-)-Hydrobenzoin

Work with 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.

(R,R)-Hydrobenzoin52340-78-0Defined stereoisomer Rel-(1R,2S)-1,2-Diphenyl-1,2-ethanediol579-43-1Defined stereoisomer (S,S)-(-)-Hydrobenzoin2325-10-2Defined stereoisomer

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 α-Naphthyl butyrate3121-70-8 2,2'-Dimethoxybiphenyl4877-93-4

Elsewhere

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