(1E)-1-(2,4-Dihydroxyphenyl)ethanone oxime
4-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,3-diol
Molecular Identity
(1E)-1-(2,4-Dihydroxyphenyl)ethanone oxime
4-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,3-diol
PubChem CID: 135399628
2D Structure
Properties
C8H9NO3
Molecular Formula
167.16
Molecular Weight
g/mol
167.0582
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
73.1
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
181
Complexity
SMILES
Canonical SMILES
SMILES: CC(=NO)C1=C(C=C(C=C1)O)OIsomeric SMILES
SMILES: C/C(=N\O)/C1=C(C=C(C=C1)O)OSynonyms(20)
6134-79-8(1E)-1-(2,4-Dihydroxyphenyl)ethanone oxime1-(2,4-Dihydroxyphenyl)ethanone oximeMFCD000434934-[(1E)-1-(hydroxyimino)ethyl]benzene-1,3-diol4-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,3-diol4-[(E)-C-Methyl-N-Oxidanyl-Carbonimidoyl]benzene-1,3-Diol2',4'-Dihydroxyacetophenone oxime4bdb1-(2,4-Dihydroxy-phenyl)-ethanone oxime4-[1-(hydroxyimino)ethyl]benzene-1,3-diolSCHEMBL1656386FQPRUMXSHZSJGM-UITAMQMPSA-NFQPRUMXSHZSJGM-WEVVVXLNSA-NDTXSID301382569
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to (1E)-1-(2,4-Dihydroxyphenyl)ethanone oxime
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