MJ5

5-methyl-2-phenoxyphenol

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

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1 entries where MJ5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	12

2D diagram of MJ5

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Chemical Component Summary
Name	5-methyl-2-phenoxyphenol
Systematic Name (OpenEye OEToolkits)	5-methyl-2-phenoxy-phenol
Formula	C₁₃ H₁₂ O₂
Molecular Weight	200.233
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(c1ccccc1)c2ccc(cc2O)C
SMILES	CACTVS	3.370	Cc1ccc(Oc2ccccc2)c(O)c1
SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(c(c1)O)Oc2ccccc2
Canonical SMILES	CACTVS	3.370	Cc1ccc(Oc2ccccc2)c(O)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(c(c1)O)Oc2ccccc2
InChI	InChI	1.03	InChI=1S/C13H12O2/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKey	InChI	1.03	HUPPMDCSGSHZHI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5271322
ChEMBL	CHEMBL148755

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