chempirical

β-Naphthyl benzoate

C17H12O2CAS 93-44-7248.28 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C17H12O2
Molar mass
248.28 g/mol
Exact mass
248.0837 Da
Melting point
107 °C
logP
4.06Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
93-44-7
SMILES
O=C(Oc1ccc2ccccc2c1)c1ccccc1
InChIKey
DWJIJRSTYFPKGD-UHFFFAOYSA-N
InChI
InChI=1S/C17H12O2/c18-17(14-7-2-1-3-8-14)19-16-11-10-13-6-4-5-9-15(13)12-16/h1-12H

Weigh it out

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

Names and synonyms

10 names
  • 2-Naphthalenol, 2-benzoate
  • 2-Naphthol, benzoate
  • 2-Naphthalenol, benzoate
  • Benzonaphthol
  • 2-Benzoyloxynaphthalene
  • 2-Naphthyl benzoate
  • Betabenzon
  • NSC 5537
  • Naphthalen-2-yl benzoate
  • PPC 016

Work with β-Naphthyl benzoate

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

1,3-Phenylene dibenzoate94-01-968 % similar Phenyl benzoate93-99-263 % similar p-Biphenylyl benzoate2170-13-061 % similar 1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-458 % similar Diphenyl isophthalate744-45-658 % similar 2-Naphthyl acetate1523-11-157 % similar p-Chlorophenyl benzoate2005-08-557 % similar p-Hydroxyphenyl benzoate2444-19-157 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook