chempirical

2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-[3-[(2-ethylhexyl)oxy]-2-hydroxypropoxy]phenol

C36H45N3O4CAS 137658-79-8583.77 g/mol

Open in Covalent MOL file
OHOONNNOH
AlcoholEtherPhenol

Properties

Molecular formula
C36H45N3O4
Molar mass
583.77 g/mol
Exact mass
583.3410 Da
logP
7.78Crippen estimate
Polar surface area
97.6 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
14

Identifiers

CAS number
137658-79-8
SMILES
CCCCC(CC)COCC(O)COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1
InChIKey
WYLMGXULBMHUDT-UHFFFAOYSA-N
InChI
InChI=1S/C36H45N3O4/c1-7-9-10-27(8-2)20-42-21-28(40)22-43-29-13-16-32(33(41)19-29)36-38-34(30-14-11-23(3)17-25(30)5)37-35(39-36)31-15-12-24(4)18-26(31)6/h11-19,27-28,40-41H,7-10,20-22H2,1-6H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Phenol, 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-[3-[(2-ethylhexyl)oxy]-2-hydroxypropoxy]-
  • 2-[2-Hydroxy-4-[3-(2-ethylhexyl-1-oxy)-2-hydroxypropyloxy]phenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
  • Tinuvin 405
  • 2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-[2-hydroxy-3-(2-ethylhexyloxy)propoxy]phenol
  • 2-[4-[[2-Hydroxy-3-(2′-ethyl)hexyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
  • 4,6-Bis(2,4-dimethylphenyl)-2-(2-hydroxy-4-(3-(2-ethylhexyloxy)-2-hydroxypropoxy)phenyl)-s-triazine
  • UV 405

Work with 2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-[3-[(2-ethylhexyl)oxy]-2-hydroxypropoxy]phenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol2725-22-662 % similar Bemotrizinol187393-00-658 % similar 2-(2,4-Dihydroxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine1668-53-744 % similar [4-[(2-Ethylhexyl)oxy]-2-hydroxyphenyl]phenylmethanone2549-90-842 % similar Tinuvin 1577147315-50-241 % similar Ethylhexylglycerin70445-33-939 % similar 1-Butoxy-3-phenoxy-2-propanol3102-00-935 % similar 2-Ethylhexyl salicylate118-60-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook