chempirical

Bemotrizinol

C38H49N3O5CAS 187393-00-6627.83 g/mol

Open in Covalent MOL file
ONONOOHNHO
EtherPhenol

Properties

Molecular formula
C38H49N3O5
Molar mass
627.83 g/mol
Exact mass
627.3672 Da
Melting point
84–85 °C
logP
9.48Crippen estimate
Polar surface area
106.8 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
18

Hazards

Not classified as hazardous under GHS by 144 ECHA notifiers. Aggregated from 144 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
187393-00-6
SMILES
CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OCC(CC)CCCC)cc3O)n2)c(O)c1
InChIKey
XVAMCHGMPYWHNL-UHFFFAOYSA-N
InChI
InChI=1S/C38H49N3O5/c1-6-10-12-26(8-3)24-45-30-18-20-32(34(42)22-30)37-39-36(28-14-16-29(44-5)17-15-28)40-38(41-37)33-21-19-31(23-35(33)43)46-25-27(9-4)13-11-7-2/h14-23,26-27,42-43H,6-13,24-25H2,1-5H3

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Names and synonyms

9 names
  • Phenol, 2,2′-[6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis[5-[(2-ethylhexyl)oxy]-
  • 2,2′-[6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis[5-[(2-ethylhexyl)oxy]phenol]
  • CGF 1607
  • Tinosorb S
  • BEMT
  • FAT 70′884
  • 2,4-Bis[4-(2-ethylhexyloxy)-2-hydroxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazine
  • Tinosorb S aqua
  • Escalol S

Work with Bemotrizinol

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-(3-((2-ethylhexyl)oxy)-2-hydroxypropoxy)phenol137658-79-858 % similar Tinuvin 1577147315-50-254 % similar [4-[(2-Ethylhexyl)oxy]-2-hydroxyphenyl]phenylmethanone2549-90-849 % similar 2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol2725-22-645 % similar Octyl methoxycinnamate5466-77-341 % similar 2-Ethylhexyl trans-4-methoxycinnamate83834-59-741 % similar 2-Ethylhexyl salicylate118-60-537 % similar 4,8-Bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b′]dithiophene1160823-77-735 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia