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GtoPdb Ligand ID: 5486

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 40.46
Molecular weight 222.16
XLogP 4.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Oc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Isomeric SMILES Oc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
InChI InChI=1S/C14H22O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,15-16H,1-6H3
InChI Key JFGVTUJBHHZRAB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2,6-di-tert-butylbenzene-1,4-diol
Database Links Click here for help
CAS Registry No. 2444-28-2
ChEMBL Ligand CHEMBL375695
DrugBank Ligand DB04638
GtoPdb PubChem SID 178102133
PubChem CID 75550
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