JPL

5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol

Created:	2008-12-30
Last modified:	2011-06-04

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1 entries where JPL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	12

2D diagram of JPL

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Chemical Component Summary
Name	5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
Systematic Name (OpenEye OEToolkits)	2-[2,4-bis(chloranyl)phenoxy]-5-(cyclohexylmethyl)phenol
Formula	C₁₉ H₂₀ Cl₂ O₂
Molecular Weight	351.267
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3(O)c(Oc1c(Cl)cc(cc1)Cl)ccc(CC2CCCCC2)c3
SMILES	CACTVS	3.385	Oc1cc(CC2CCCCC2)ccc1Oc3ccc(Cl)cc3Cl
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1CC2CCCCC2)O)Oc3ccc(cc3Cl)Cl
Canonical SMILES	CACTVS	3.385	Oc1cc(CC2CCCCC2)ccc1Oc3ccc(Cl)cc3Cl
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1CC2CCCCC2)O)Oc3ccc(cc3Cl)Cl
InChI	InChI	1.03	InChI=1S/C19H20Cl2O2/c20-15-7-9-18(16(21)12-15)23-19-8-6-14(11-17(19)22)10-13-4-2-1-3-5-13/h6-9,11-13,22H,1-5,10H2
InChIKey	InChI	1.03	AUJNRGORQMIJCP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	25023964
ChEMBL	CHEMBL428260

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