chempirical

4-Bromo-3-methylphenol

C7H7BrOCAS 14472-14-1187.04 g/mol

Open in Covalent MOL file
OHBr
Aryl halidePhenol

Properties

Molecular formula
C7H7BrO
Molar mass
187.04 g/mol
Exact mass
185.9680 Da
Melting point
63.5 °C
Boiling point
123–142 °C (at 20 Torr)
logP
2.46Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
14472-14-1
SMILES
Cc1cc(O)ccc1Br
InChIKey
GPOQODYGMUTOQL-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Phenol, 4-bromo-3-methyl-
  • m-Cresol, 4-bromo-
  • 4-Bromo-m-cresol
  • p-Bromo-m-xylenol
  • 2-Bromo-5-hydroxytoluene
  • 3-Methyl-4-bromophenol

Work with 4-Bromo-3-methylphenol

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

2,5-Dibromotoluene615-59-862 % similar 3,4-Xylenol95-65-860 % similar 4-Bromo-3,5-dimethylphenol7463-51-658 % similar 1-Bromo-2,4-dimethylbenzene583-70-056 % similar Methylhydroquinone95-71-656 % similar 3-Amino-4-bromophenol100367-37-152 % similar 4-Bromo-3-fluorophenol121219-03-252 % similar 4-Bromo-3-chlorophenol13631-21-552 % similar

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

Same formula

4-Bromoanisole104-92-7 2-Bromo-6-methylphenol13319-71-6 3-Bromobenzenemethanol15852-73-0 2-Bromobenzyl alcohol18982-54-2 4-Bromo-2-methylphenol2362-12-1 3-Bromoanisole2398-37-0 2-Bromoanisole578-57-4 2-Bromo-4-methylphenol6627-55-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook