6PN

5-hexyl-2-phenoxyphenol

Created:	2013-05-15
Last modified:	2013-06-05

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1 entries where 6PN 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 6PN

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Chemical Component Summary
Name	5-hexyl-2-phenoxyphenol
Systematic Name (OpenEye OEToolkits)	5-hexyl-2-phenoxy-phenol
Formula	C₁₈ H₂₂ O₂
Molecular Weight	270.366
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(c1ccccc1)c2ccc(cc2O)CCCCCC
SMILES	CACTVS	3.370	CCCCCCc1ccc(Oc2ccccc2)c(O)c1
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCc1ccc(c(c1)O)Oc2ccccc2
Canonical SMILES	CACTVS	3.370	CCCCCCc1ccc(Oc2ccccc2)c(O)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCc1ccc(c(c1)O)Oc2ccccc2
InChI	InChI	1.03	InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3
InChIKey	InChI	1.03	SXGQGHHNOWYMRT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5274977
ChEMBL	CHEMBL264682

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