chempirical

Isovanillyl alcohol

C8H10O3CAS 4383-06-6154.16 g/mol

Open in Covalent MOL file
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AlcoholEtherPhenol

Properties

Molecular formula
C8H10O3
Molar mass
154.16 g/mol
Exact mass
154.0630 Da
Melting point
136 °C
logP
0.89Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
4383-06-6
SMILES
COc1ccc(CO)cc1O
InChIKey
WHKRHBLAJFYZKF-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,9-10H,5H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzenemethanol, 3-hydroxy-4-methoxy-
  • Benzyl alcohol, 3-hydroxy-4-methoxy-
  • 3-Hydroxy-4-methoxybenzenemethanol
  • 3-Hydroxy-4-methoxybenzyl alcohol
  • 3-Hydroxymethyl-6-methoxyphenol
  • 5-Hydroxymethyl-2-methoxyphenol
  • NSC 93802

Work with Isovanillyl 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

Veratrole alcohol93-03-870 % similar Erianin95041-90-063 % similar 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-858 % similar 3-Hydroxy-4-methoxyphenethylamine hydrochloride645-33-058 % similar (4-Fluoro-3-methoxyphenyl)methanol128495-45-457 % similar 3,4-Dihydroxybenzyl alcohol3897-89-057 % similar 2-Methoxy-5-methylphenol1195-09-155 % similar Syringyl alcohol530-56-355 % similar

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

Same formula

Hydroxytyrosol10597-60-1 cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-3 3,4-Dimethoxyphenol2033-89-8 2-Hydroxy-3-methoxybenzenemethanol4383-05-5 Vanillyl alcohol498-00-0 3,5-Dimethoxyphenol500-99-2 2,3-Dimethoxyphenol5150-42-5 2-[(2-Oxiranylmethoxy)methyl]furan5380-87-0

Elsewhere

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