exo-2-(1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl)-p-cresol
Basic information
- CAS
23559-40-2- Standard SMILES
Cc1ccc(O)c([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1- InChIKey
ZRCLPBCDJUWMRD-DXCKQFNASA-N- Molecular formula
- C17H24O
- Average molar mass
- 244.37 g/mol
- Monoisotopic mass
- 244.18271539
Names & identifiers
- Preferred name
- exo-2-(1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl)-p-cresol
- IUPAC
- 4-methyl-2-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
- English name
- exo-2-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-p-cresol
- Molecular formula
- C17H24O
- Molecular weight
- 244.37
Names & synonyms
23559-40-2EINECS 245-736-5DTXSID10946329ZRCLPBCDJUWMRD-DXCKQFNASA-Nexo-2-(1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl)-p-cresol4-METHYL-2-[(1R,2S,4S)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL]PHENOL4-Methyl-2-(1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)phenolexo-2-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-p-cresolPhenol, 4-methyl-2-[(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-, rel-
Database identifiers
- CAS
23559-40-2- PubChem CID
- 90162
- DTXSID
DTXSID10946329- EC Number
- 245-736-5
- Nikkaji
- J221.674D
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 335
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 71.8 · 71.8-72.5 °C
- Boiling point
- 146 · 146-148 °C(Press: 2 Torr)
- Density
- 1.03 · 1.030±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.491 · 10.491±0.48(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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