chempirical

Benzoin isopropyl ether

C17H18O2CAS 6652-28-4254.33 g/mol

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OO
EtherKetone

Properties

Molecular formula
C17H18O2
Molar mass
254.33 g/mol
Exact mass
254.1307 Da
Density
1.16 g/mL
logP
4.04Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Hazards

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

Identifiers

CAS number
6652-28-4
SMILES
CC(C)OC(C(=O)c1ccccc1)c1ccccc1
InChIKey
MSAHTMIQULFMRG-UHFFFAOYSA-N
InChI
InChI=1S/C17H18O2/c1-13(2)19-17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14/h3-13,17H,1-2H3

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Names and synonyms

14 names · show all
  • Ethanone, 2-(1-methylethoxy)-1,2-diphenyl-
  • Acetophenone, 2-isopropoxy-2-phenyl-
  • 2-(1-Methylethoxy)-1,2-diphenylethanone
  • 2-Isopropoxy-2-phenylacetophenone
  • 2-Isopropoxy-1,2-diphenylethanone
  • Vicure 30
  • Isopropyl benzoin ether
  • Glocure 31
  • α-Isopropoxydeoxybenzoin
  • PS 10A
  • Nisso cure IBPO
  • Seikuol BIP
  • 2-Isopropoxy-1,2-diphenylethan-1-one
  • 1,2-Diphenyl-2-propan-2-yloxyethanone

Work with Benzoin isopropyl ether

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

Methyl benzoin3524-62-765 % similar Benzoin isobutyl ether22499-12-361 % similar Benzoin acetate574-06-159 % similar (±)-Benzoin ethyl ether574-09-459 % similar Chalcone epoxide5411-12-153 % similar Isobutyrophenone611-70-152 % similar 2-Chloro-1-phenyl-1-propanone6084-17-951 % similar α-Bromopropiophenone2114-00-349 % similar

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

Same formula

Benzyl isoeugenol120-11-6 9,9-Bis(methoxymethyl)fluorene182121-12-6 2,2'-(9H-Fluorene-9,9-diyl)diethanol203070-78-4 4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid5748-42-5 4'-Butyl-[1,1'-biphenyl]-4-carboxylic acid59662-46-3 2-(1-Methylethyl)-5-[(1E)-2-phenylethenyl]-1,3-benzenediol79338-84-4

Elsewhere

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