Molecular Identity
Vanillic acid
4-hydroxy-3-methoxybenzoic acid
PubChem CID: 8468
Vanillic acid is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. It has a role as a plant metabolite. It is a methoxybenzoic acid and a monohydroxybenzoic acid. It is a conjugate acid of a vanillate.
2D Structure
Properties
C8H8O4
Molecular Formula
168.15
Molecular Weight
g/mol
168.0423
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
66.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
168
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Vanillic acid4-HYDROXY-3-METHOXYBENZOIC ACID121-34-6Acide vanilliqueBenzoic acid, 4-hydroxy-3-methoxy-3-Methoxy-4-hydroxybenzoic acidGM8Q3JM2Y8DTXSID6059522NSC-3987NSC-674322FEMA NO. 3988CHEBI:30816Acid, Vanillic4 Hydroxy 3 methoxybenzoic Acidp Hydroxy m methoxy benzoic Acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Vanillic acid
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