Molecular Identity
Vanillyl alcohol
4-(hydroxymethyl)-2-methoxyphenol
PubChem CID: 62348
Vanillyl alcohol is a monomethoxybenzene that is 2-methoxyphenol substituted by a hydroxymethyl group at position 4. It has a role as a plant metabolite. It is a member of guaiacols and a member of benzyl alcohols.
2D Structure
Properties
C8H10O3
Molecular Formula
154.16
Molecular Weight
g/mol
154.0630
Exact Mass
Da
0
XLogP
Drug-like (Lipinski: < 5)
49.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
116
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=CC(=C1)CO)OIsomeric SMILES
SMILES: COC1=C(C=CC(=C1)CO)OSynonyms(20)
Vanillyl alcohol498-00-04-Hydroxy-3-methoxybenzyl alcohol4-(Hydroxymethyl)-2-methoxyphenolVanillin alcoholVanillic alcohol4-Hydroxy-3-methoxybenzenemethanolFEMA No. 3737X7EA1JUA6MNSC-3993DTXSID20198074V0018CHEBI:18353V-0018RefChem:901716
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Vanillyl alcohol
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