chempirical

Monobenzone

C13H12O2CAS 103-16-2200.24 g/mol

Open in Covalent MOL file
HOO
EtherPhenol

Properties

Molecular formula
C13H12O2
Molar mass
200.24 g/mol
Exact mass
200.0837 Da
Density
1.26 g/mL
Melting point
122.5 °C
logP
2.97Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
103-16-2
SMILES
Oc1ccc(OCc2ccccc2)cc1
InChIKey
VYQNWZOUAUKGHI-UHFFFAOYSA-N
InChI
InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2

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Names and synonyms

26 names · show all
  • Phenol, 4-(phenylmethoxy)-
  • Phenol, p-(benzyloxy)-
  • 4-(Phenylmethoxy)phenol
  • Alba-dome
  • Benoquin
  • Hydroquinone benzyl ether
  • Hydroquinone monobenzyl ether
  • p-Hydroxyphenyl benzyl ether
  • Monobenzyl ether hydroquinone
  • Monobenzyl hydroquinone
  • AgeRite Alba
  • Superlite (antioxidant)
  • p-(Benzyloxy)phenol
  • 4-(Benzyloxy)phenol
  • Benzyl p-hydroxyphenyl ether
  • Monobenzon
  • Benzoquin
  • Carmifal
  • Depigman
  • Dermochinona
  • Leucodinine
  • Pigmex
  • Superlite
  • Agerite
  • NSC 2132
  • NSC 33918

Work with Monobenzone

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

Hydroquinone dibenzyl ether621-91-075 % similar 4-[[4-(Phenylmethoxy)phenyl]sulfonyl]phenol63134-33-873 % similar 1-(Benzyloxy)-4-bromobenzene6793-92-666 % similar 4-(Benzyloxy)benzyl alcohol836-43-163 % similar 4-Benzyloxyaniline6373-46-262 % similar 4-(Phenylmethoxy)benzeneethanol61439-59-661 % similar 1-Fluoro-4-(phenylmethoxy)benzene370-78-560 % similar 4-Benzyloxybenzyl chloride836-42-058 % similar

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

Same formula

3-Phenoxybenzyl alcohol13826-35-2 2-Ethoxy-1-naphthalenecarboxaldehyde19523-57-0 2-[(1-Naphthalenyloxy)methyl]oxirane2461-42-9 Methyl 1-naphthylacetate2876-78-0 Ethyl 2-naphthoate3007-91-8 Ethyl 1-naphthalenecarboxylate3007-97-4 2-Acetyl-6-methoxynaphthalene3900-45-6 1-Acetoxy-2-methylnaphthalene5697-02-9

Elsewhere

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