3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol

C42H57N3O6 — CID 19934089

IUPAC3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol
SMILESCc1cc(C(C)(C)C)c(O)c(C)c1COc1nc(OCc2c(C)cc(C(C)(C)C)c(O)c2C)nc(OCc2c(C)cc(C(C)(C)C)c(O)c2C)n1
InChIInChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-49-37-43-38(50-20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)45-39(44-37)51-21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3
InChIKeySHSMWWDYPRPYRY-UHFFFAOYSA-N
MW699.93 g/mol
LogP9.47
Rot. Bonds9

About 3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol

3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol (PubChem CID 19934089) has the molecular formula C42H57N3O6 and a molecular weight of 699.93 g/mol. Its IUPAC name is 3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol.

Molecular Properties

Compound Name3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol
PubChem CID19934089
Molecular FormulaC42H57N3O6
Molecular Weight699.93 g/mol
Exact Mass699.42
IUPAC Name3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol
SMILESCc1cc(C(C)(C)C)c(O)c(C)c1COc1nc(OCc2c(C)cc(C(C)(C)C)c(O)c2C)nc(OCc2c(C)cc(C(C)(C)C)c(O)c2C)n1
InChIInChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-49-37-43-38(50-20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)45-39(44-37)51-21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3
InChIKeySHSMWWDYPRPYRY-UHFFFAOYSA-N
XLogP9.47
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.93
LogP ≤ 59.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol with MolForge

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Related Compounds

Phenol, 2,2',2''-[1,3,5-triazine-2,4,6-triyltris[oxy[3-(1,1-dimethylethyl)-5-methyl-2,1-phenylene]methylene]]tris[6-(1,1-dimethylethyl)-4-methyl-
CID 20556676
p,p',p''-(1,3,5-Triazine-2,4,6-triyltris(oxy-4,1-phenyleneisopropylidene))trisphenol
CID 56842968
2,4,6-Tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine
CID 4289842
Tris-(m-hydroxybenzyl) cyanurate
CID 129727570
2,2',2''-(1,3,5-Triazine-2,4,6-triyltris(oxy(3,5-dimethyl-2,1-phenylene)(3,5,5-trimethylhexylidene)))tris(4,6-xylenol)
CID 119057877
4-[[4,6-Bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol
CID 15140003
4-[[4,6-Bis[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-bis(2-methylbutan-2-yl)phenol
CID 19750960
4-[[4,6-Bis(3-tert-butyl-4-hydroxy-5-methylphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butyl-6-methylphenol
CID 20492392
4-[2-[[4,6-Bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethoxy]-1,3,5-triazin-2-yl]oxy]ethyl]-2,6-ditert-butylphenol
CID 20495341
4-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol
CID 21325609
4-[[4,6-Bis(3,5-ditert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2,6-ditert-butylphenol
CID 22056755
4-[[4,6-Bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol
CID 22165762

Frequently Asked Questions

What is the IUPAC name of 3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol?
The IUPAC name of 3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol (CID 19934089) is 3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol.
What is the SMILES notation for 3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol?
The canonical SMILES for 3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol is Cc1cc(C(C)(C)C)c(O)c(C)c1COc1nc(OCc2c(C)cc(C(C)(C)C)c(O)c2C)nc(OCc2c(C)cc(C(C)(C)C)c(O)c2C)n1.
What is the InChIKey of 3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol?
The InChIKey is SHSMWWDYPRPYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-49-37-43-38(50-20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)45-39(44-37)51-21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3.
What are the key properties of 3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol?
3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol has a molecular weight of 699.93 g/mol, XLogP of 9.47, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4,6-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol is sourced from PubChem (CID 19934089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).