12M

(2-ETHYLPHENYL)METHANOL

Created:	2005-11-29
Last modified:	2011-06-04

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2 entries where 12M is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of 12M

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Chemical Component Summary
Name	(2-ETHYLPHENYL)METHANOL
Systematic Name (OpenEye OEToolkits)	(2-ethylphenyl)methanol
Formula	C₉ H₁₂ O
Molecular Weight	136.191
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OCc1ccccc1CC
SMILES	CACTVS	3.341	CCc1ccccc1CO
SMILES	OpenEye OEToolkits	1.5.0	CCc1ccccc1CO
Canonical SMILES	CACTVS	3.341	CCc1ccccc1CO
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCc1ccccc1CO
InChI	InChI	1.03	InChI=1S/C9H12O/c1-2-8-5-3-4-6-9(8)7-10/h3-6,10H,2,7H2,1H3
InChIKey	InChI	1.03	SBUIQTMDIOLKAL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5225083
ChEMBL	CHEMBL386156

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.