chempirical

Octabenzone

C21H26O3CAS 1843-05-6326.44 g/mol

Open in Covalent MOL file
OOOH
EtherKetonePhenol

Properties

Molecular formula
C21H26O3
Molar mass
326.44 g/mol
Exact mass
326.1882 Da
Melting point
45–46 °C
Boiling point
175–180 °C (at 0.1 Torr)
logP
5.36Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
10

Identifiers

CAS number
1843-05-6
SMILES
CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1
InChIKey
QUAMTGJKVDWJEQ-UHFFFAOYSA-N
InChI
InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3

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

Names and synonyms

55 names · show all
  • Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-
  • Benzophenone, 2-hydroxy-4-(octyloxy)-
  • [2-Hydroxy-4-(octyloxy)phenyl]phenylmethanone
  • 2-Hydroxy-4-octoxybenzophenone
  • 2-Hydroxy-4-n-octoxybenzophenone
  • 2-Hydroxy-4-(octyloxy)benzophenone
  • 4-n-Octyloxy-2-hydroxybenzophenone
  • 4-(Octyloxy)-2-hydroxybenzophenone
  • Spectra-sorb UV 531
  • Cyasorb UV 531
  • UF 4
  • 2-Hydroxy-4-(n-octyloxy)benzophenone
  • Cyasorb 531
  • UV 531
  • Benzon OO
  • Benzophenone 12
  • 2-Benzoyl-5-octyloxyphenol
  • UV 1
  • Advastab 46
  • anti-UV P
  • Chimassorb 81
  • Carstab 700
  • Aduvex 248
  • Sumisorb 130
  • Viosorb 130
  • Ongrostab HOB
  • Mark 1413
  • Cyasorb UV 532
  • Rhodialux P
  • UV 1 (ultraviolet absorber)
  • Asahi 1413
  • Uvinul M 408
  • Seikalizer E
  • Zislizer E
  • V 130
  • Sanduvor 3035
  • ADK Stab 1413
  • Seesorb 102
  • Lowilite 22
  • Adeka 1413
  • Hostavin ARO 8
  • ARO 8
  • Uvinul 3008
  • Specta-sorb UV 531
  • NSC 163400
  • GW 531
  • C 81
  • LA 1413
  • Cytec UV 531
  • BP 12
  • UV 53
  • Chemisorb 81
  • Tinuvin UV 531
  • (2-Hydroxy-4-octoxyphenyl)-phenylmethanone
  • Riasorb UV 531

Work with Octabenzone

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-Hydroxy-4-dodecyloxybenzophenone2985-59-3100 % similar Oxybenzone131-57-760 % similar 4-(Allyloxy)-2-hydroxybenzophenone2549-87-360 % similar 2-(4-Benzoyl-3-hydroxyphenoxy)ethyl acrylate16432-81-859 % similar Tinuvin 1577147315-50-255 % similar 2-Hydroxy-4-(methacryloyloxy)benzophenone2035-72-555 % similar Diethylamino hydroxybenzoyl hexyl benzoate302776-68-752 % similar 2,4-Dihydroxybenzophenone131-56-650 % similar

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

Same formula

[4-[(2-Ethylhexyl)oxy]-2-hydroxyphenyl]phenylmethanone2549-90-8 Acitretin55079-83-9 Buparvaquone88426-33-9

Elsewhere

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