Basic information
- Standard SMILES
Cc1c(C)c2c(c(C)c1O)CCC(C)(C#N)O2- InChIKey
YZMUECYFRYYUAZ-UHFFFAOYSA-N- Molecular formula
- C14H17NO2
- Average molar mass
- 231.29 g/mol
Names & identifiers
- Preferred name
- 3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carbonitrile
- IUPAC
- 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonitrile
Names & synonyms
53713-29-43,4-DIHYDRO-6-HYDROXY-2,5,7,8-TETRAMETHYL-2H-1-BENZOPYRAN-2-CARBONITRILEMFCD352447146-Hydroxy-2,5,7,8-tetramethylchromane-2-carbonitrileSCHEMBL5775223YZMUECYFRYYUAZ-UHFFFAOYSA-NG832176-hydroxy-2,5,7,8-tetramethyl-2-cyanochromane(+/-)-2-cyano-6-hydroxy-2,5,7,8-tetramethylchroman
Database identifiers
- PubChem CID
- 11680237
- Nikkaji
- J378.137B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 347
Related reactions
5 records
Compound notes
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