Molecule record

4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid

C24H28O2

348.49 g/mol

Loading structure

Molecular properties

Formula
C24H28O2
Molar mass
348.49 g·mol−1
Exact mass
348.2089 Da
11
PubChem CID
82146

Functional groups

Alkane / alkyl carbon
Alkene
Aromatic ring
Carboxylic acid

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 153559-49-0
  • 3-methyl-TTNEB
  • 4-(1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethenyl)benzoic acid
  • 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid
  • 4-[1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]benzoic acid
  • A61RXM4375
  • Benzoic acid, 4-(1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl)-
  • Bexarotene
Show all 24 synonyms
  • CHEBI:50859
  • DTXCID9020619
  • DTXSID1040619
  • L01XX25
  • LG-100069
  • LG100069
  • LGD-1069
  • LGD1069
  • NSC-747528
  • RefChem:54537
  • Targretin
  • Targretine
  • Targrexin
  • bexaroteno
  • bexarotenum
  • p-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl)benzoic acid

Structure identifiers

Canonical SMILES
C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Isomeric SMILES
CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C
InChI
InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
InChIKey
NAVMQTYZDKMPEU-UHFFFAOYSA-N
PubChem CID
82146

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record