3,4-Dihydroxybenzyl alcohol

C7H8O3CAS 3897-89-0140.14 g/mol

Open in Covalent MOL file
HOOHOH
AlcoholPhenol

Properties

Molecular formula
C7H8O3
Molar mass
140.14 g/mol
Exact mass
140.0473 Da
Melting point
115–116 °C
logP
0.59Crippen estimate
Polar surface area
60.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
3897-89-0
SMILES
OCc1ccc(O)c(O)c1
InChIKey
PCYGLFXKCBFGPC-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3/c8-4-5-1-2-6(9)7(10)3-5/h1-3,8-10H,4H2

Weigh it out

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

Names and synonyms

8 names
  • 1,2-Benzenediol, 4-(hydroxymethyl)-
  • Benzyl alcohol, 3,4-dihydroxy-
  • 4-(Hydroxymethyl)-1,2-benzenediol
  • Protocatechuyl alcohol
  • 4-Hydroxymethylpyrocatechol
  • 4,5-Dihydroxybenzyl alcohol
  • NSC 355645
  • 4-Hydroxymethylcatechol

Work with 3,4-Dihydroxybenzyl alcohol

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-Bromo-5-(hydroxymethyl)phenol2737-19-163 % similar 3-Bromo-4-hydroxybenzenemethanol29922-56-363 % similar Hydroxytyrosol10597-60-162 % similar 4-Ethyl-1,2-benzenediol1124-39-658 % similar Nordihydroguaiaretic acid500-38-957 % similar Isovanillyl alcohol4383-06-657 % similar Vanillyl alcohol498-00-057 % similar Dopamine51-61-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-furoate1335-40-6 5-Methoxyresorcinol2174-64-3 Methyl 5-methyl-2-furancarboxylate2527-96-0 3,5-Dihydroxybenzyl alcohol29654-55-5 Rel-(3aR,6aS)-Tetrahydro-1H-cyclopenta[c]furan-1,3(3aH)-dione35878-28-5 2-Acetyl-1,3-cyclopentanedione3859-39-0 Ethyl maltol4940-11-8 Methyl 3-methyl-2-furancarboxylate6141-57-7

Elsewhere

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