Vanillyl alcohol

C₈H₁₀O₃CAS 498-00-0154.16 g/mol

Open in Covalent MOL file

Alcohol Ether Phenol

Properties

Molecular formula: C₈H₁₀O₃
Molar mass: 154.16 g/mol
Exact mass: 154.0630 Da
Melting point: 115 °C
logP: 0.89Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

498-00-0

SMILES

COc1cc(CO)ccc1O

InChIKey

ZENOXNGFMSCLLL-UHFFFAOYSA-N

InChI

InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(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

13 names · show all

Benzenemethanol, 4-hydroxy-3-methoxy-
4-Hydroxy-3-methoxybenzenemethanol
3-Methoxy-4-hydroxybenzyl alcohol
Vanillic alcohol
4-Hydroxy-3-methoxybenzyl alcohol
Vanillin alcohol
4-(Hydroxymethyl)-2-methoxyphenol
V 0018
V 0018 (Alcohol)
NSC 3993
p-(Hydroxymethyl)guaiacol
3-Methoxy-4-hydroxybenzenemethanol
3-Methoxyl-4-hydroxybenzyl alcohol

Work with Vanillyl 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 Homovanillyl alcohol2380-78-170 % similar 4-Ethylguaiacol2785-89-969 % similar Dihydroconiferyl alcohol2305-13-766 % similar 4-Propylguaiacol2785-87-765 % similar Secoisolariciresinol29388-59-864 % similar 3-Methoxytyramine554-52-963 % similar (4-Fluoro-3-methoxyphenyl)methanol128495-45-462 % 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 Isovanillyl alcohol4383-06-6 3,5-Dimethoxyphenol500-99-2 2,3-Dimethoxyphenol5150-42-5 2-[(2-Oxiranylmethoxy)methyl]furan5380-87-0

Elsewhere

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