O0Y

3-(diethylamino)phenol

Created:	2019-06-04
Last modified:	2019-08-21

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2 entries where O0Y is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

2D diagram of O0Y

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Chemical Component Summary
Name	3-(diethylamino)phenol
Systematic Name (OpenEye OEToolkits)	3-(diethylamino)phenol
Formula	C₁₀ H₁₅ N O
Molecular Weight	165.232
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(N(CC)CC)cccc(c1)O
SMILES	CACTVS	3.385	CCN(CC)c1cccc(O)c1
SMILES	OpenEye OEToolkits	2.0.6	CCN(CC)c1cccc(c1)O
Canonical SMILES	CACTVS	3.385	CCN(CC)c1cccc(O)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCN(CC)c1cccc(c1)O
InChI	InChI	1.03	InChI=1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3
InChIKey	InChI	1.03	WAVOOWVINKGEHS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7062
ChEMBL	CHEMBL1420719
CCDC/CSD	KAHBED
COD	2241507

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.