chempirical

3,5-Bis(phenylmethoxy)benzoic acid

C21H18O4CAS 28917-43-3334.37 g/mol

Open in Covalent MOL file
OHOOO
Carboxylic acidEther

Properties

Molecular formula
C21H18O4
Molar mass
334.37 g/mol
Exact mass
334.1205 Da
Melting point
209–211 °C
logP
4.54Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
7

Identifiers

CAS number
28917-43-3
SMILES
O=C(O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIKey
DHQIBPUGSWVDOH-UHFFFAOYSA-N
InChI
InChI=1S/C21H18O4/c22-21(23)18-11-19(24-14-16-7-3-1-4-8-16)13-20(12-18)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,22,23)

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 3,5-bis(phenylmethoxy)-
  • Benzoic acid, 3,5-bis(benzyloxy)-
  • 3,5-Dibenzyloxybenzoic acid
  • NSC 210283
  • 3,5-Benzyloxybenzoic acid

Work with 3,5-Bis(phenylmethoxy)benzoic acid

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-(Benzyloxy)benzoic acid1486-51-774 % similar 4-Benzyloxy-3,5-dimethylbenzoic acid97888-80-765 % similar 1-[3,5-Bis(phenylmethoxy)phenyl]ethanone28924-21-263 % similar 3-Benzyloxy-4-methoxybenzoic acid58452-00-957 % similar 2-(Benzyloxy)benzoic acid14389-86-756 % similar 5-(Phenylmethoxy)-1H-indole-2-carboxylic acid6640-09-154 % similar 3-Phenoxybenzoic acid3739-38-653 % similar 2-[4-(Phenylmethoxy)phenoxy]acetic acid38559-92-153 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook