2OK

4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine

Created:	2014-04-22
Last modified:	2014-10-15

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1 entries where 2OK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	18

2D diagram of 2OK

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Chemical Component Summary
Name	4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine
Systematic Name (OpenEye OEToolkits)	4-(3-methoxy-5-methyl-phenoxy)-2-(4-methoxyphenyl)-6-methyl-pyridine
Formula	C₂₁ H₂₁ N O₃
Molecular Weight	335.396
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(c1cc(cc(OC)c1)C)c2cc(nc(c2)C)c3ccc(OC)cc3
SMILES	CACTVS	3.385	COc1ccc(cc1)c2cc(Oc3cc(C)cc(OC)c3)cc(C)n2
SMILES	OpenEye OEToolkits	1.9.2	Cc1cc(cc(c1)Oc2cc(nc(c2)c3ccc(cc3)OC)C)OC
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1)c2cc(Oc3cc(C)cc(OC)c3)cc(C)n2
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1cc(cc(c1)Oc2cc(nc(c2)c3ccc(cc3)OC)C)OC
InChI	InChI	1.03	InChI=1S/C21H21NO3/c1-14-9-18(24-4)12-19(10-14)25-20-11-15(2)22-21(13-20)16-5-7-17(23-3)8-6-16/h5-13H,1-4H3
InChIKey	InChI	1.03	WAAJEIGWGSZNPQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71460891
ChEMBL	CHEMBL2178862

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