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5-methylbenzene-1,3-diol

  • Formula: C7H8O2

  • Molecular weight: 124.14

  • Smiles: CC1=CC(=CC(=C1)O)O

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5-methylbenzene-1,3-diol

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: 5-methylbenzene-1,3-diol

  • First synonym: Orcinol

  • Synonyms: Orcinol,3,5-Dihydroxytoluene,504-15-4,5-methylbenzene-1,3-diol,5-METHYLRESORCINOL,1,3-Dihydroxy-5-methylbenzene,Orcin,5-Methyl-1,3-benzenediol,1,3-Benzenediol, 5-methyl-,5-Methylresorcin,3,5-Toluenediol,3-Hydroxy-5-methylphenol,Resorcinol, 5-methyl-,Orcinol, 5-methylresorcinol,5-Methyl Resorcinol,Oricinol,Orcinol anhydrous,MFCD00002291,NSC 12441,5-Methyl-1,3-dihydroxybenzene,UNII-534PMB3438,CHEBI:16536,3,5-Dihydroxy-toluene,5-Methylresorcinol anhydrous,5-Methyl-benzene-1,3-diol,534PMB3438,EINECS 207-984-2,BRN 1071903,Orcine,AI3-23954,5-methyl-resorcinol,resorcinol monohydrate,3,5-ToluenediolOrcin,Orcinol, 97%,5-methylbenzen-1,3-diol,Methylresorcinol (Related),WLN: QR CQ E1,SCHEMBL68497,4-06-00-05892 (Beilstein Handbook Reference),5-Methylresorcinol, anhydrous,CHEMBL110059,DTXSID2060123,5-methylbenzene-1,3-diol;Orcinol,ZINC391826,HY-D0168,NSC12441,BBL027377,BDBM50104667,c0155,NSC-12441,s9329,SBB006928,STL146540,AKOS000280922,1,5-DIHYDROXY-3-METHYLBENZENE,CCG-266088,CS-W008652,MCULE-5278471842,SC10142,AC-10290,AS-14515,L451,ST058419,SY002780,DB-022064,FT-0620669,M0426,M1235,C00727,H11838,O-2990,153D395,504M154,A828110,Q412476,F0001-1314

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Structure

  • Smiles: CC1=CC(=CC(=C1)O)O

  • Isomeric smiles: CC1=CC(=CC(=C1)O)O

  • Inchi: InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3

  • Inchikey: OIPPWFOQEKKFEE-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C7H8O2

  • Molecular weight: 124.14

  • Monoisotopic mass: 124.052429494

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