chempirical

2-Bromo-4-methoxy-5-(phenylmethoxy)benzoic acid

C15H13BrO4CAS 24958-42-7337.17 g/mol

Open in Covalent MOL file
OBrOOHO
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C15H13BrO4
Molar mass
337.17 g/mol
Exact mass
335.9997 Da
Melting point
185 °C
logP
3.73Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Identifiers

CAS number
24958-42-7
SMILES
COc1cc(Br)c(C(=O)O)cc1OCc1ccccc1
InChIKey
FBTDEMXQQIWHKX-UHFFFAOYSA-N
InChI
InChI=1S/C15H13BrO4/c1-19-13-8-12(16)11(15(17)18)7-14(13)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18)

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 2-bromo-4-methoxy-5-(phenylmethoxy)-
  • Benzoic acid, 5-(benzyloxy)-2-bromo-4-methoxy-
  • 2-Bromo-5-benzyloxy-4-methoxybenzoic acid
  • 5-(Benzyloxy)-2-bromo-4-methoxybenzoic acid
  • 2-Bromo-4-methoxy-5-(benzyloxy)benzoic acid

Work with 2-Bromo-4-methoxy-5-(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

3-Benzyloxy-4-methoxybenzoic acid58452-00-963 % similar 2-(Benzyloxy)benzoic acid14389-86-757 % similar 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-652 % similar 2-Bromo-5-methoxybenzoic acid22921-68-249 % similar 2,4,5-Trimethoxybenzoic acid490-64-249 % similar 2-Amino-4,5-dimethoxybenzoic acid5653-40-748 % similar O-Anisic acid579-75-948 % similar 5-Bromo-2-methoxybenzoic acid2476-35-946 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook