chempirical

3,5-Dihydroxybenzyl alcohol

C7H8O3CAS 29654-55-5140.14 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
182 °C
logP
0.59Crippen estimate
Polar surface area
60.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Identifiers

CAS number
29654-55-5
SMILES
OCc1cc(O)cc(O)c1
InChIKey
NGYYFWGABVVEPL-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3/c8-4-5-1-6(9)3-7(10)2-5/h1-3,8-10H,4H2

Weigh it out

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

Names and synonyms

5 names
  • 1,3-Benzenediol, 5-(hydroxymethyl)-
  • Benzyl alcohol, 3,5-dihydroxy-
  • 5-(Hydroxymethyl)-1,3-benzenediol
  • 5-(Hydroxymethyl)resorcinol
  • 1,3-Dihydroxy-5-(hydroxymethyl)benzene

Work with 3,5-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

3-Hydroxybenzyl alcohol620-24-658 % similar Gastrodigenin623-05-255 % similar Phloroglucinol108-73-653 % similar 3,5-Dimethylbenzyl alcohol27129-87-946 % similar 3,5-Dichlorobenzyl alcohol60211-57-646 % similar 1,4-Benzenedimethanol589-29-745 % similar 1,3,5-Benzenetriol, hydrate (1:2)6099-90-745 % similar 1,3-Benzenedimethanol626-18-643 % 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 Rel-(3ar,6as)-tetrahydro-1H-cyclopenta[C]furan-1,3(3ah)-dione35878-28-5 2-Acetyl-1,3-cyclopentanedione3859-39-0 3,4-Dihydroxybenzyl alcohol3897-89-0 Ethyl maltol4940-11-8 Methyl 3-methyl-2-furancarboxylate6141-57-7

Elsewhere

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