chempirical

4-(1-Phenylethyl)-1,3-benzenediol

C14H14O2CAS 85-27-8214.26 g/mol

Open in Covalent MOL file
HOOH
Phenol

Properties

Molecular formula
C14H14O2
Molar mass
214.26 g/mol
Exact mass
214.0994 Da
Melting point
79 °C
Boiling point
243–244 °C (at 12 Torr)
logP
3.25Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
85-27-8
SMILES
CC(c1ccccc1)c1ccc(O)cc1O
InChIKey
PQSXNIMHIHYFEE-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O2/c1-10(11-5-3-2-4-6-11)13-8-7-12(15)9-14(13)16/h2-10,15-16H,1H3

Weigh it out

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

Names and synonyms

7 names
  • 1,3-Benzenediol, 4-(1-phenylethyl)-
  • Resorcinol, 4-(α-methylbenzyl)-
  • 4-(α-Methylbenzyl)resorcinol
  • 4-(1-Phenylethyl)resorcinol
  • 4-(1-Phenylethyl)resorcin
  • 4-(1-Phenylethyl)benzene-1,3-diol
  • SymWhite 377

Work with 4-(1-Phenylethyl)-1,3-benzenediol

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

4-Isopropylresorcinol23504-03-258 % similar 1,1-Diphenylethane612-00-047 % similar 3-Isopropylphenol618-45-142 % similar Hydroxyquinol533-73-341 % similar Phenylhydroquinone1079-21-641 % similar 3-[1-(Dimethylamino)ethyl]phenol105601-04-540 % similar (S)-3-[1-(Dimethylamino)ethyl]phenol139306-10-840 % similar 4-Methylresorcinol496-73-140 % similar

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

Same formula

1,2-Diphenoxyethane104-66-5 3-(Phenylmethoxy)benzenemethanol1700-30-7 Ethyl 1-naphthylacetate2122-70-5 α-Naphthyl butyrate3121-70-8 (R,R)-Hydrobenzoin52340-78-0 Rel-(1R,2S)-1,2-diphenyl-1,2-ethanediol579-43-1 3,3'-Dimethoxybiphenyl6161-50-8 4-Methoxybenzhydrol720-44-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook