chempirical

1,3-Benzenedimethanol

C8H10O2CAS 626-18-6138.17 g/mol

Open in Covalent MOL file
HOHO
Alcohol

Properties

Molecular formula
C8H10O2
Molar mass
138.17 g/mol
Exact mass
138.0681 Da
Melting point
57 °C
logP
0.67Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
626-18-6
SMILES
OCc1cccc(CO)c1
InChIKey
YWMLORGQOFONNT-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O2/c9-5-7-2-1-3-8(4-7)6-10/h1-4,9-10H,5-6H2

Weigh it out

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

Names and synonyms

12 names
  • m-Xylene-α,α′-diol
  • Isophthalyl alcohol
  • m-Xylylene glycol
  • m-Benzenedimethanol
  • 1,3-Bis(hydroxymethyl)benzene
  • m-(Hydroxymethyl)phenylmethanol
  • m-Bis(hydroxymethyl)benzene
  • 2,6-Bis(hydroxymethyl)benzene
  • m-Xylylenediol
  • (3-Hydroxymethylphenyl)methanol
  • 1,3-Di(hydroxymethyl)benzene
  • 1,3-Phenylenedimethanol

Work with 1,3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Fluorobenzyl alcohol456-47-368 % similar 3-Hydroxybenzyl alcohol620-24-668 % similar 3-Chlorobenzyl alcohol873-63-268 % similar 3-Bromobenzenemethanol15852-73-065 % similar 3-Aminobenzyl alcohol1877-77-665 % similar (3-Iodophenyl)methanol57455-06-865 % similar 3-Methylbenzyl alcohol587-03-165 % similar Benzyl alcohol100-51-663 % similar

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

Same formula

Anisyl alcohol105-13-5 1-(5-Methyl-2-furanyl)-1-propanone10599-69-6 3-Acetyl-2,5-dimethylfuran10599-70-9 4-Ethyl-1,2-benzenediol1124-39-6 2-Methoxy-5-methylphenol1195-09-1 5-Norbornene-2-carboxylic acid120-74-1 Phenoxyethanol122-99-6 3-Hydroxybenzeneethanol13398-94-2

Elsewhere

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