Basic information
- CAS
5450-24-8- Standard SMILES
CC(C)(C)c1ccc(O)c(C2CCCCC2)c1- InChIKey
PDFWQXMLRLJXAQ-UHFFFAOYSA-N- Molecular formula
- C16H24O
- Average molar mass
- 232.36 g/mol
- Monoisotopic mass
- 232.18271539
Names & identifiers
- Preferred name
- 4-tert-Butyl-2-cyclohexylphenol
- IUPAC
- 4-tert-butyl-2-cyclohexylphenol
- English name
- 4-tert-butyl-2-cyclohexylphenol
- Molecular formula
- C16H24O
- Molecular weight
- 232.36116
Names & synonyms
4-tert-Butyl-2-cyclohexylphenol5450-24-84-(tert-Butyl)-2-cyclohexylphenolNSC-13596NSC13596EINECS 226-674-8BH3769G2SRSCHEMBL3133679CHEMBL1795597DTXSID60202907PDFWQXMLRLJXAQ-UHFFFAOYSA-NNSC 13596
Show more names
Phenol, 2-cyclohexyl-4-(1,1-dimethylethyl)-
NS00033101A1-81051
Database identifiers
- CAS
5450-24-8- PubChem CID
- 79535
- DTXSID
DTXSID60202907- ChEMBL
CHEMBL1795597- UNII
- BH3769G2SR
- EC Number
- 226-674-8
- Nikkaji
- J210.495D
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 293.1 · 293.1±9.0 °C(Predicted)
- Density
- 0.985 · 0.985±0.06 g/cm3(Predicted)
- pka
- 10.49 · 10.49±0.43(Predicted)
- FDA UNII
- 3769 G2SR · BH3769G2SR
Chemistry & industry
Suppliers1 total
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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