Basic information
- CAS
89315-17-3- Standard SMILES
C/C(=C\c1cccc(C(=O)O)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C- InChIKey
FWELAWCPFZMRQA-DTQAZKPQSA-N- Molecular formula
- C24H28O2
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.20893013
Names & identifiers
- Preferred name
- Benzoic acid, 3-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-, (E)-
- IUPAC
- 3-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
- English name
- 3-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1-propenyl]benzoic acid
- Molecular weight
- 0
Names & synonyms
Ro 19-478889315-17-3m-Carboxyarotinoid acidBenzoic acid, 3-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-, (E)-3-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acidCHEMBL88180orb1695446SCHEMBL4551713AKOS040753782T34352Ro-19-47883-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1-propenyl]benzoic acid
Show more names
3-[(E)-2-[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethylnaphthalen)-2-yl]-1-propenyl]benzoic acid
Database identifiers
- CAS
89315-17-3- PubChem CID
- 6441995
- ChEMBL
CHEMBL88180- Nikkaji
- J366.846K
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 557
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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