Molecular Identity
3',4'-Dihydroxyacetophenone
1-(3,4-dihydroxyphenyl)ethanone
PubChem CID: 14530
3,4-dihydroxyacetophenone is a member of acetophenones. It has a role as a metabolite.
2D Structure
Properties
C8H8O3
Molecular Formula
152.15
Molecular Weight
g/mol
152.0473
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
57.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
155
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)C1=CC(=C(C=C1)O)OIsomeric SMILES
SMILES: CC(=O)C1=CC(=C(C=C1)O)OSynonyms(20)
3',4'-Dihydroxyacetophenone1197-09-71-(3,4-Dihydroxyphenyl)ethanone3,4-DIHYDROXYACETOPHENONEQingxintongAcetopyrocatechol4-AcetylpyrocatecholEthanone, 1-(3,4-dihydroxyphenyl)-4-Acetopyrocatechol1-(3,4-dihydroxyphenyl)ethan-1-one07OQ35LVBKDTXSID30152546CHEBI:19868RefChem:90232DTXCID4075037
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 3',4'-Dihydroxyacetophenone
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