Basic information
- CAS
5465-52-1- Standard SMILES
Cc1cc(C)c(-c2cc(O)c(-c3c(C)cc(O)c(C)c3C)cc2O)c(C)c1C- InChIKey
XSMZARXAULBVSJ-UHFFFAOYSA-N- Molecular formula
- C25H28O3
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.20384475
Names & identifiers
- Preferred name
- 2-(4-Hydroxy-2,3,6-trimethylphenyl)-5-(2,3,4,6-tetramethylphenyl)benzene-1,4-diol
- IUPAC
- 2-(4-hydroxy-2,3,6-trimethylphenyl)-5-(2,3,4,6-tetramethylphenyl)benzene-1,4-diol
Names & synonyms
5465-52-1NSC290202-(4-hydroxy-2,3,6-trimethylphenyl)-5-(2,3,4,6-tetramethylphenyl)benzene-1,4-diolSCHEMBL30388523DTXSID00282980NSC-290201~2~,1~3~,1~6~,3~2~,3~3~,3~4~,3~6~-Heptamethyl[1~1~,2~1~:2~4~,3~1~-terphenyl]-1~4~,2~2~,2~5~-triol
Database identifiers
- CAS
5465-52-1- PubChem CID
- 232018
- DTXSID
DTXSID00282980
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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