chempirical

[4-[(2-Ethylhexyl)oxy]-2-hydroxyphenyl]phenylmethanone

C21H26O3CAS 2549-90-8326.44 g/mol

Open in Covalent MOL file
OOOH
EtherKetonePhenol

Properties

Molecular formula
C21H26O3
Molar mass
326.44 g/mol
Exact mass
326.1882 Da
logP
5.22Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
9

Identifiers

CAS number
2549-90-8
SMILES
CCCCC(CC)COc1ccc(C(=O)c2ccccc2)c(O)c1
InChIKey
SLXIKWJMGICOAO-UHFFFAOYSA-N
InChI
InChI=1S/C21H26O3/c1-3-5-9-16(4-2)15-24-18-12-13-19(20(22)14-18)21(23)17-10-7-6-8-11-17/h6-8,10-14,16,22H,3-5,9,15H2,1-2H3

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Names and synonyms

6 names
  • Methanone, [4-[(2-ethylhexyl)oxy]-2-hydroxyphenyl]phenyl-
  • Benzophenone, 4-[(2-ethylhexyl)oxy]-2-hydroxy-
  • UF 5
  • 2-Hydroxy-4-[(2-ethylhexyl)oxy]benzophenone
  • 4-(2-Ethylhexyloxy)-2-hydroxybenzophenone
  • Uvinul 408

Work with [4-[(2-Ethylhexyl)oxy]-2-hydroxyphenyl]phenylmethanone

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-dodecyloxybenzophenone2985-59-369 % similar Oxybenzone131-57-755 % similar 2-Ethylhexyl salicylate118-60-554 % similar 4-(Allyloxy)-2-hydroxybenzophenone2549-87-354 % similar 2-(4-Benzoyl-3-hydroxyphenoxy)ethyl acrylate16432-81-852 % similar Bemotrizinol187393-00-649 % similar Bis(2-ethylhexyl) phthalate117-81-749 % similar 2-Hydroxy-4-(methacryloyloxy)benzophenone2035-72-548 % similar

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

Same formula

Octabenzone1843-05-6 Acitretin55079-83-9 Buparvaquone88426-33-9

Elsewhere

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