2OE

3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol

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

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1 entries where 2OE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	18

2D diagram of 2OE

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Chemical Component Summary
Name	3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol
Systematic Name (OpenEye OEToolkits)	3-(2-methyl-6-phenyl-pyridin-4-yl)oxyphenol
Formula	C₁₈ H₁₅ N O₂
Molecular Weight	277.317
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(c1cccc(O)c1)c2cc(nc(c2)C)c3ccccc3
SMILES	CACTVS	3.385	Cc1cc(Oc2cccc(O)c2)cc(n1)c3ccccc3
SMILES	OpenEye OEToolkits	1.9.2	Cc1cc(cc(n1)c2ccccc2)Oc3cccc(c3)O
Canonical SMILES	CACTVS	3.385	Cc1cc(Oc2cccc(O)c2)cc(n1)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1cc(cc(n1)c2ccccc2)Oc3cccc(c3)O
InChI	InChI	1.03	InChI=1S/C18H15NO2/c1-13-10-17(21-16-9-5-8-15(20)11-16)12-18(19-13)14-6-3-2-4-7-14/h2-12,20H,1H3
InChIKey	InChI	1.03	SJHYRSDSTDNDIP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71462587
ChEMBL	CHEMBL2178856

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