Cas no 70368-23-9 ((2S,4S)-4-hydroxy-2-(3-methylbut-2-en-1-yl)-3,4-dihydronaphthalen-1(2H)-one)

(2S,4S)-4-hydroxy-2-(3-methylbut-2-en-1-yl)-3,4-dihydronaphthalen-1(2H)-one structure
70368-23-9 structure
Product Name:(2S,4S)-4-hydroxy-2-(3-methylbut-2-en-1-yl)-3,4-dihydronaphthalen-1(2H)-one
CAS No:70368-23-9
MF:C15H18O2
MW:230.302224636078
CID:1743130
PubChem ID:155494
Update Time:2025-04-21

(2S,4S)-4-hydroxy-2-(3-methylbut-2-en-1-yl)-3,4-dihydronaphthalen-1(2H)-one Chemical and Physical Properties

Names and Identifiers

    • (2S,4S)-4-hydroxy-2-(3-methylbut-2-en-1-yl)-3,4-dihydronaphthalen-1(2H)-one
    • 1(2H)-Naphthalenone, 3,4-dihydro-4-hydroxy-2-(3-methyl-2-butenyl)-, (2S,4S)-
    • 70368-23-9
    • EpiCatalponol
    • 4-Hydroxy-2-(3-methylbut-2-en-1-yl)-3,4-dihydronaphthalen-1(2H)-one
    • 2-Epicatalponol
    • CHEMBL496446
    • DTXSID30990561
    • epi-catalponol
    • (2S,4S)-4-hydroxy-2-(3-methylbut-2-enyl)-3,4-dihydro-2H-naphthalen-1-one
    • Inchi： 1S/C15H18O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,11,14,16H,8-9H2,1-2H3/t11-,14-/m0/s1
    • InChI Key： BTQXIESSQVRLCV-FZMZJTMJSA-N
    • SMILES： O[C@@H]1C2C=CC=CC=2C([C@@H](C/C=C(\C)/C)C1)=O

Computed Properties

  • Exact Mass: 230.13074
  • Monoisotopic Mass: 230.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 315
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

(2S,4S)-4-hydroxy-2-(3-methylbut-2-en-1-yl)-3,4-dihydronaphthalen-1(2H)-one Related Literature

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