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Basic information
- CAS
146670-35-1- Standard SMILES
CC(C)=C(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C- InChIKey
XYIWGTYPSQVWKX-UHFFFAOYSA-N- Molecular formula
- C25H30O2
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.2245802
Names & identifiers
- Preferred name
- SR 11217
- IUPAC
- 4-[2-methyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
Names & synonyms
146670-35-1SR 11217SR-11217DTXSID90163431SR11217RefChem:185173DTXCID3085922CHEMBL249664-(2-Methyl-1-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propen-1-yl)benzoic acidSCHEMBL7412191XYIWGTYPSQVWKX-UHFFFAOYSA-NBDBM50033080
Show more names
4-[2-methyl-1-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid4-[1-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-2-methyl-1-propenyl]benzoic acid4-[1-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-2-methyl-l-propenyl]benzoic acid4-[2-Methyl-1-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acidBenzoic acid, 4-(2-methyl-1-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-
Database identifiers
- CAS
146670-35-1- PubChem CID
- 3035780
- DTXSID
DTXSID90163431- ChEMBL
CHEMBL24966- Nikkaji
- J632.825C
Properties
Computed structural propertiesFilling in
- XLogP
- 8.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 585
Related reactions
4 records
Compound notes
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