JPA

4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL

Created:	2006-01-18
Last modified:	2011-06-04

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1 entries where JPA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	19

2D diagram of JPA

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Chemical Component Summary
Name	4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL
Systematic Name (OpenEye OEToolkits)	2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol
Formula	C₁₉ H₁₄ Cl₂ O₂
Molecular Weight	345.219
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc3cc(Cl)ccc3Oc2ccc(c1ccccc1C)cc2O
SMILES	CACTVS	3.341	Cc1ccccc1c2ccc(Oc3ccc(Cl)cc3Cl)c(O)c2
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccccc1c2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
Canonical SMILES	CACTVS	3.341	Cc1ccccc1c2ccc(Oc3ccc(Cl)cc3Cl)c(O)c2
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ccccc1c2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
InChI	InChI	1.03	InChI=1S/C19H14Cl2O2/c1-12-4-2-3-5-15(12)13-6-8-19(17(22)10-13)23-18-9-7-14(20)11-16(18)21/h2-11,22H,1H3
InChIKey	InChI	1.03	VDWAWADVXJMBAA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	15942656
ChEMBL	CHEMBL261708

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