3IM

2,6-ditert-butyl-4-methyl-phenol

Created:	2021-07-18
Last modified:	2022-07-13

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2 entries where 3IM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	6

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Chemical Component Summary
Name	2,6-ditert-butyl-4-methyl-phenol
Synonyms	2,6-di-tert-butyl-p-cresol
Systematic Name (OpenEye OEToolkits)	2,6-di~{tert}-butyl-4-methyl-phenol
Formula	C₁₅ H₂₄ O
Molecular Weight	220.35
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Canonical SMILES	CACTVS	3.385	Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
InChI	InChI	1.03	InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
InChIKey	InChI	1.03	NLZUEZXRPGMBCV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB16863
Name	Butylated hydroxytoluene
Groups	investigational
Synonyms	Butylhydroxytoluene BHT Butylated hydroxytoluene
Brand Names	Antifungal Dermatological
Categories	Antioxidants Benzene Derivatives Biological Factors Compounds used in a research, industrial, or household setting Cresols Phenols Protective Agents
CAS number	128-37-0

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Carbonic anhydrase 2	MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVS...	unknown	inhibitor

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