2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol

C22H26N2O3 — CID 136694939

IUPAC2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2nnc(-c3ccc(O)cc3)o2)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H26N2O3/c1-21(2,3)16-11-14(12-17(18(16)26)22(4,5)6)20-24-23-19(27-20)13-7-9-15(25)10-8-13/h7-12,25-26H,1-6H3
InChIKeyZJHKEVMMIUHLFW-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.41
Rot. Bonds2

About 2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol

2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 136694939) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID136694939
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2nnc(-c3ccc(O)cc3)o2)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H26N2O3/c1-21(2,3)16-11-14(12-17(18(16)26)22(4,5)6)20-24-23-19(27-20)13-7-9-15(25)10-8-13/h7-12,25-26H,1-6H3
InChIKeyZJHKEVMMIUHLFW-UHFFFAOYSA-N
XLogP5.41
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-ditert-butyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136694940
4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol
CID 135985215
2,6-ditert-butyl-4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenol
CID 135419252
4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 135860745
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 71700319
3-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-[5-[4-(2-iodopropan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenol
CID 147669816
2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-iodophenyl]-1,3,4-oxadiazole
CID 11767205
8,17,26-tritert-butyl-29,31,33-trioxa-3,4,12,13,21,22-hexazaheptacyclo[22.3.1.12,5.16,10.111,14.115,19.120,23]tritriaconta-1(28),2,4,6(32),7,9,11,13,15,17,19(30),20,22,24,26-pentadecaene
CID 102320160
4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol
CID 157497488
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol
CID 100914371
2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 150681431

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol (CID 136694939) is 2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol is CC(C)(C)c1cc(-c2nnc(-c3ccc(O)cc3)o2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is ZJHKEVMMIUHLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-21(2,3)16-11-14(12-17(18(16)26)22(4,5)6)20-24-23-19(27-20)13-7-9-15(25)10-8-13/h7-12,25-26H,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 366.46 g/mol, XLogP of 5.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 136694939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).