1,4-Benzenedimethanol
Properties
- Molecular formula
- C8H10O2
- Molar mass
- 138.17 g/mol
- Exact mass
- 138.0681 Da
- Melting point
- 117.5 °C
- Boiling point
- 118–119.4 °C
- logP
- 0.67Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Identifiers
CAS number
589-29-7SMILES
OCc1ccc(CO)cc1InChIKey
BWVAOONFBYYRHY-UHFFFAOYSA-NInChI
InChI=1S/C8H10O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
21 names · show all
- p-Xylene-α,α′-diol
- Terephthalyl alcohol
- p-Xylylenediol
- p-Xylylene-α,α′-diol
- p-Xylylene glycol
- 1,4-Bis(hydroxymethyl)benzene
- 1,4-Dimethylolbenzene
- 1,4-Xylylene glycol
- p-Benzenedimethanol
- p-Xylene glycol
- α,α′-p-Xylenediol
- p-(Hydroxymethyl)benzyl alcohol
- p-Bis(hydroxymethyl)benzene
- α,α′-Dihydroxy-p-xylene
- 4-(Hydroxymethyl)benzenemethanol
- NSC 5097
- 1,4-Di(hydroxymethyl)benzene
- 4-(Hydroxymethyl)benzyl alcohol
- p-Xylene dimethanol
- 1,4-Phenylenedimethanol
- [4-(Hydroxymethyl)phenyl]methanol
Work with 1,4-Benzenedimethanol
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Gastrodigenin623-05-271 % similar
Benzyl alcohol100-51-669 % similar
4-Iodobenzyl alcohol18282-51-467 % similar
4-Fluorobenzyl alcohol459-56-367 % similar
4-Aminobenzyl alcohol623-04-167 % similar
4-Bromobenzyl alcohol873-75-667 % similar
4-Chlorobenzyl alcohol873-76-767 % similar
[1,1′-Biphenyl]-4-methanol3597-91-963 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds