68O

5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol

Created:	2016-02-17
Last modified:	2017-02-22

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1 entries where 68O is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	12

2D diagram of 68O

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Chemical Component Summary
Name	5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol
Systematic Name (OpenEye OEToolkits)	5-ethyl-4-fluoranyl-2-(2-fluoranylphenoxy)phenol
Formula	C₁₄ H₁₂ F₂ O₂
Molecular Weight	250.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1c(cccc1)Oc2cc(F)c(CC)cc2O
SMILES	CACTVS	3.385	CCc1cc(O)c(Oc2ccccc2F)cc1F
SMILES	OpenEye OEToolkits	2.0.4	CCc1cc(c(cc1F)Oc2ccccc2F)O
Canonical SMILES	CACTVS	3.385	CCc1cc(O)c(Oc2ccccc2F)cc1F
Canonical SMILES	OpenEye OEToolkits	2.0.4	CCc1cc(c(cc1F)Oc2ccccc2F)O
InChI	InChI	1.03	InChI=1S/C14H12F2O2/c1-2-9-7-12(17)14(8-11(9)16)18-13-6-4-3-5-10(13)15/h3-8,17H,2H2,1H3
InChIKey	InChI	1.03	MUHZCNPYLSMOCX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71457183
ChEMBL	CHEMBL2178304

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