Cas no 87771-41-3 (1-(3-(2-Hydroxypropan-2-yl)phenyl)ethanone)

1-(3-(2-Hydroxypropan-2-yl)phenyl)ethanone is a specialized organic compound featuring a ketone functional group adjacent to a tertiary alcohol-substituted phenyl ring. This structure imparts unique reactivity, making it a valuable intermediate in synthetic organic chemistry, particularly for the preparation of pharmaceuticals, agrochemicals, and fine chemicals. The presence of both carbonyl and hydroxyl groups allows for versatile functionalization, enabling selective modifications under controlled conditions. Its stability under standard handling conditions and compatibility with common solvents enhance its utility in multistep synthesis. The compound's well-defined molecular architecture supports precise regiochemical transformations, making it advantageous for applications requiring high selectivity and yield optimization.
1-(3-(2-Hydroxypropan-2-yl)phenyl)ethanone structure
87771-41-3 structure
Product Name:1-(3-(2-Hydroxypropan-2-yl)phenyl)ethanone
CAS No:87771-41-3
MF:C11H14O2
MW:178.227663516998
MDL:MFCD00134683
CID:652470
PubChem ID:13531419
Update Time:2025-06-07

1-(3-(2-Hydroxypropan-2-yl)phenyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1-[3-(1-hydroxy-1-methylethyl)phenyl]-
    • 1-[3-(2-hydroxypropan-2-yl)phenyl]ethanone
    • 1-(3-(2-hydroxypropan-2-yl)phenyl)ethanone
    • 1-[3-(2-Hydroxypropan-2-yl)phenyl]ethan-1-one
    • MNEFLNSJCTVLTJ-UHFFFAOYSA-N
    • m-(2-hydroxy-2-propyl)acetophenone
    • m-acetyl-alpha,alpha-dimethylbenzyl alcohol
    • 3'-(1-Hydroxy-1-methylethyl)acetophenone
    • 3-Acetyl-alpha, alpha-dimethylbenzylalcohol
    • 87771-41-3
    • AS-67628
    • MFCD00134683
    • AMY18639
    • AKOS025296096
    • SCHEMBL548539
    • CS-0356171
    • DTXSID40543123
    • 1-[3-(1-Hydroxy-1-methylethyl)phenyl]-ethanone
    • DB-131593
    • 1-[3-(1-Hydroxy-1-methylethyl)phenyl]ethanone; 1-(3-(2-Hydroxypropan-2-yl)phenyl)ethanone; 1-[3-(2-Hydroxypropan-2-yl)phenyl]ethan-1-one;
    • A10570
    • 1-(3-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one
    • 1-(3-(2-Hydroxypropan-2-yl)phenyl)ethanone
    • MDL： MFCD00134683
    • Inchi： 1S/C11H14O2/c1-8(12)9-5-4-6-10(7-9)11(2,3)13/h4-7,13H,1-3H3
    • InChI Key： MNEFLNSJCTVLTJ-UHFFFAOYSA-N
    • SMILES： OC(C)(C)C1C=CC=C(C(C)=O)C=1

Computed Properties

  • Exact Mass: 178.099379685g/mol
  • Monoisotopic Mass: 178.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 196
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3
  • XLogP3: 1.3

1-(3-(2-Hydroxypropan-2-yl)phenyl)ethanone Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
H853270-100mg
1-(3-(2-Hydroxypropan-2-yl)phenyl)ethanone
 87771-41-3
100mg
 $ 508.00 2023-09-07
TRC
H853270-250mg
1-(3-(2-Hydroxypropan-2-yl)phenyl)ethanone
 87771-41-3
250mg
 $ 1045.00 2023-09-07
TRC
H853270-500mg
1-(3-(2-Hydroxypropan-2-yl)phenyl)ethanone
 87771-41-3
500mg
 $ 1880.00 2023-09-07
Apollo Scientific
OR31504-250mg
1-[3-(2-Hydroxypropan-2-yl)phenyl]ethanone
 87771-41-3 95%
250mg
 ￡403.00 2025-02-19
Apollo Scientific
OR31504-1g
1-[3-(2-Hydroxypropan-2-yl)phenyl]ethanone
 87771-41-3 95%
1g
 ￡922.00 2025-02-19
abcr
AB494258-250 mg
1-[3-(1-Hydroxy-1-methylethyl)phenyl]-ethanone
 87771-41-3
250MG
 €614.80 2023-04-19
eNovation Chemicals LLC
D583229-500mg
1-[3-(2-hydroxypropan-2-yl)phenyl]ethanone
 87771-41-3 95%
500mg
 $695 2024-05-24
eNovation Chemicals LLC
D583229-1g
1-[3-(2-hydroxypropan-2-yl)phenyl]ethanone
 87771-41-3 95%
1g
 $895 2024-05-24
eNovation Chemicals LLC
D583229-5g
1-[3-(2-hydroxypropan-2-yl)phenyl]ethanone
 87771-41-3 95%
5g
 $1560 2024-05-24
abcr
AB494258-1 g
1-[3-(1-Hydroxy-1-methylethyl)phenyl]-ethanone
 87771-41-3
1g
 €1,370.00 2023-04-19

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