A1BDD

(4-methoxyphenyl)methanol

Created:	2024-10-14
Last modified:	2024-11-27

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2 entries where A1BDD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of A1BDD

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Chemical Component Summary
Name	(4-methoxyphenyl)methanol
Systematic Name (OpenEye OEToolkits)	(4-methoxyphenyl)methanol
Formula	C₈ H₁₀ O₂
Molecular Weight	138.164
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	COc1ccc(CO)cc1
SMILES	CACTVS	3.385	COc1ccc(CO)cc1
SMILES	OpenEye OEToolkits	3.1.0.0	COc1ccc(cc1)CO
Canonical SMILES	CACTVS	3.385	COc1ccc(CO)cc1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	COc1ccc(cc1)CO
InChI	InChI	1.06	InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
InChIKey	InChI	1.06	MSHFRERJPWKJFX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7738
ChEMBL	CHEMBL294431
ChEBI	CHEBI:193647

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.