N0Y

1-benzyl-4-methoxybenzene

Created:	2019-04-29
Last modified:	2022-06-15

Find Related PDB Entry
2 entries where N0Y is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

2D diagram of N0Y

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-benzyl-4-methoxybenzene
Systematic Name (OpenEye OEToolkits)	1-methoxy-4-(phenylmethyl)benzene
Formula	C₁₄ H₁₄ O
Molecular Weight	198.26
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(cccc1)Cc2ccc(cc2)OC
SMILES	CACTVS	3.385	COc1ccc(Cc2ccccc2)cc1
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)Cc2ccccc2
Canonical SMILES	CACTVS	3.385	COc1ccc(Cc2ccccc2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)Cc2ccccc2
InChI	InChI	1.03	InChI=1S/C14H14O/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey	InChI	1.03	GQLYCRTUQGSDSM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13264
ChEMBL	CHEMBL1915868

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.