2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol

C35H40N6O2 — CID 157340396

IUPAC2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol
SMILESCCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1.Cc1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C22H29N3O.C13H11N3O/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-23-17-11-9-10-12-18(17)24-25;1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h9-14,26H,7-8H2,1-6H3;2-8,17H,1H3
InChIKeyBGICWECGTDPYSC-UHFFFAOYSA-N
MW576.75 g/mol
LogP7.94
Rot. Bonds6

About 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol

2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol (PubChem CID 157340396) has the molecular formula C35H40N6O2 and a molecular weight of 576.75 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol
PubChem CID157340396
Molecular FormulaC35H40N6O2
Molecular Weight576.75 g/mol
Exact Mass576.32
IUPAC Name2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol
SMILESCCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1.Cc1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C22H29N3O.C13H11N3O/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-23-17-11-9-10-12-18(17)24-25;1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h9-14,26H,7-8H2,1-6H3;2-8,17H,1H3
InChIKeyBGICWECGTDPYSC-UHFFFAOYSA-N
XLogP7.94
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.75
LogP ≤ 57.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol);zirconium
CID 87129662
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158345963
2H-benzotriazole;2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol
CID 87700797
3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one
CID 155928241
2-(benzotriazol-2-yl)-4-methylphenol;ethane
CID 91212938
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158028605
dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane)
CID 139082832
2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol
CID 18515457
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-5-octoxyphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
CID 172773941
2,4-bis(2-methylbutan-2-yl)-6-[4-(3-phenylpropyl)triazol-2-yl]phenol
CID 141176247
1-[2-hydroxy-3-(5-methylbenzotriazol-2-yl)-5-(2-methylbutan-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 139814813
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,3,3-trimethylbutan-2-yl)phenyl]methyl]-4-(2,3,3-trimethylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-6-dodecyl-4-methylphenol;2-(benzotriazol-2-yl)-4-methylphenol;2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
CID 159135230

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol (CID 157340396) is 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol is CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1.Cc1ccc(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol?
The InChIKey is BGICWECGTDPYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O.C13H11N3O/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-23-17-11-9-10-12-18(17)24-25;1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h9-14,26H,7-8H2,1-6H3;2-8,17H,1H3.
What are the key properties of 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol?
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol has a molecular weight of 576.75 g/mol, XLogP of 7.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol is sourced from PubChem (CID 157340396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).