2TK

2-(2-bromophenoxy)-5-hexylphenol

Created:	2014-01-29
Last modified:	2014-04-30

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1 entries where 2TK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	12

2D diagram of 2TK

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Chemical Component Summary
Name	2-(2-bromophenoxy)-5-hexylphenol
Systematic Name (OpenEye OEToolkits)	2-(2-bromanylphenoxy)-5-hexyl-phenol
Formula	C₁₈ H₂₁ Br O₂
Molecular Weight	349.262
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc2ccccc2Oc1ccc(cc1O)CCCCCC
SMILES	CACTVS	3.385	CCCCCCc1ccc(Oc2ccccc2Br)c(O)c1
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCc1ccc(c(c1)O)Oc2ccccc2Br
Canonical SMILES	CACTVS	3.385	CCCCCCc1ccc(Oc2ccccc2Br)c(O)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCc1ccc(c(c1)O)Oc2ccccc2Br
InChI	InChI	1.03	InChI=1S/C18H21BrO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8H2,1H3
InChIKey	InChI	1.03	XMFJZZCTDKMLKQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	73659178
ChEMBL	CHEMBL4177124

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