2MY

2,6-dimethylphenol

Created:	2008-10-31
Last modified:	2011-06-04

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2 entries where 2MY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of 2MY

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Chemical Component Summary
Name	2,6-dimethylphenol
Systematic Name (OpenEye OEToolkits)	2,6-dimethylphenol
Formula	C₈ H₁₀ O
Molecular Weight	122.164
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Oc1c(cccc1C)C
SMILES	CACTVS	3.341	Cc1cccc(C)c1O
SMILES	OpenEye OEToolkits	1.5.0	Cc1cccc(c1O)C
Canonical SMILES	CACTVS	3.341	Cc1cccc(C)c1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1cccc(c1O)C
InChI	InChI	1.03	InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
InChIKey	InChI	1.03	NXXYKOUNUYWIHA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11335
ChEMBL	CHEMBL30106
CCDC/CSD	DARCEG, EDCDMP10, YACTED

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.