2MP

3,4-DIMETHYLPHENOL

Created: 2002-03-19
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count19
Aromatic Bond Count6
2D diagram of 2MP
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Chemical Component Summary

Name3,4-DIMETHYLPHENOL
Systematic Name (OpenEye OEToolkits)3,4-dimethylphenol
FormulaC8 H10 O
Molecular Weight122.164
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Oc1cc(c(cc1)C)C
SMILESCACTVS3.341Cc1ccc(O)cc1C
SMILESOpenEye OEToolkits1.5.0Cc1ccc(cc1C)O
Canonical SMILESCACTVS3.341 Cc1ccc(O)cc1C
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1ccc(cc1C)O
InChIInChI1.03 InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
InChIKeyInChI1.03 YCOXTKKNXUZSKD-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB04052 
Name3,4-Xylenol
Groups experimental
Synonyms
  • 3,4-Xylenol
  • 3,4-Dimethylphenol
  • 4,5-Dimethylphenol
  • 1,3,4-Xylenol
  • 3,4-DMP
Categories
  • Agrochemicals
  • Benzene Derivatives
CAS number95-65-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferaseMQTLHALLRDIPAPDAEAMARAQQHIDGLLKPPGSLGRLETLAVQLAGMP...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 7249
ChEMBL CHEMBL192008
ChEBI CHEBI:39839
CCDC/CSD XUNROQ