Cas no 7698-97-7 (3-Cyclohexene-1-carboxylicacid, 5-ethyl-6-methyl-4-phenyl-)

3-Cyclohexene-1-carboxylicacid, 5-ethyl-6-methyl-4-phenyl- structure
7698-97-7 structure
Product Name:3-Cyclohexene-1-carboxylicacid, 5-ethyl-6-methyl-4-phenyl-
CAS No:7698-97-7
MF:C16H20O2
MW:244.328804969788
CID:566155
PubChem ID:24371
Update Time:2025-04-19

3-Cyclohexene-1-carboxylicacid, 5-ethyl-6-methyl-4-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Cyclohexene-1-carboxylicacid, 5-ethyl-6-methyl-4-phenyl-
    • 5-ethyl-6-methyl-4-phenylcyclohex-3-ene-1-carboxylic acid
    • 2-Methyl-3-ethyl-4-phenyl-4-cyclohexencarbonsaeure
    • Demethoxyhoggolic acid
    • FENESTREL
    • Fenestrelo [INN-Spanish]
    • Fenestrelum [INN-Latin]
    • ORF 3858
    • Q25091489
    • SCHEMBL635684
    • Fenestrelo
    • Fenestrel (USAN)
    • FENESTREL [USAN]
    • CHEMBL1699033
    • LEC4215V9R
    • 3-Cyclohexene-1-carboxylic acid, 5-ethyl-6-methyl-4-phenyl-
    • Fenestrel [USAN:INN]
    • 5-ethyl-6-methyl-4-phenyl-cyclohex-3-ene-1-carboxylic acid
    • DTXSID20864106
    • HMS3094A17
    • AKOS040751786
    • 2-Methyl-3-ethyl-4-phenyl-delta(sup 4)-cyclohexenecarboxylic acid
    • UNII-LEC4215V9R
    • 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid
    • 2-Methyl-3-ethyl-4-phenyl-4-cyclohexenecarboxylic acid
    • D04146
    • BRN 1879525
    • MLS002694683
    • SMR001560608
    • AI3-62334
    • NSC86465
    • 7698-97-7
    • Fenestrelum
    • FENESTREL [INN]
    • NCIOpen2_004959
    • CHEBI:177577
    • NSC-86465
    • 2-Methyl-3-ethyl-4-phenyl-4-cyclohexene carboxylic acid
    • Inchi： 1S/C16H20O2/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18)
    • InChI Key： CLMFEXDZPBGYQQ-UHFFFAOYSA-N
    • SMILES： OC(C1CC=C(C2C=CC=CC=2)C(CC)C1C)=O

Computed Properties

  • Exact Mass: 244.14600
  • Monoisotopic Mass: 244.14633
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 326
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3
  • XLogP3: 3.8

Experimental Properties

  • Color/Form: Solid powder
  • Density: 1.0794 (rough estimate)
  • Melting Point: 160.5°C
  • Boiling Point: 327.25°C (rough estimate)
  • Flash Point: 183.3°C
  • Refractive Index: 1.4700 (estimate)
  • PSA: 37.30000
  • LogP: 3.83680

3-Cyclohexene-1-carboxylicacid, 5-ethyl-6-methyl-4-phenyl- Security Information

  • Signal Word：Warning
  • Storage Condition：Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).

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