HX8

4-phenoxyphenol

Created:	2018-01-19
Last modified:	2018-12-12

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1 entries where HX8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	12

2D diagram of HX8

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Chemical Component Summary
Name	4-phenoxyphenol
Systematic Name (OpenEye OEToolkits)	4-phenoxyphenol
Formula	C₁₂ H₁₀ O₂
Molecular Weight	186.207
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2cccc(Oc1ccc(cc1)O)c2
SMILES	CACTVS	3.385	Oc1ccc(Oc2ccccc2)cc1
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)Oc2ccc(cc2)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(Oc2ccccc2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)Oc2ccc(cc2)O
InChI	InChI	1.03	InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
InChIKey	InChI	1.03	ZSBDGXGICLIJGD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13254
ChEMBL	CHEMBL224318
ChEBI	CHEBI:39264
CCDC/CSD	QIRLEK, RAVCAU01, RAVCAU, QIRLAG, RAVCAU02, QIRKUZ
COD	7110154, 4510844, 4510847, 7110155, 4510842, 4510843, 4510846

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