exo-6-(1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl)-m-cresol
Basic information
- CAS
22488-23-9- Standard SMILES
Cc1ccc([C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)c(O)c1- InChIKey
NYYGACIUGBJQHR-IFIJOSMWSA-N- Molecular formula
- C17H24O
- Average molar mass
- 244.37 g/mol
- Monoisotopic mass
- 244.18271539
Names & identifiers
- Preferred name
- exo-6-(1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl)-m-cresol
- IUPAC
- 5-methyl-2-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
- English name
- exo-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-m-cresol
- Molecular formula
- C17H24O
- Molecular weight
- 244.37186
Names & synonyms
22488-23-9exo-6-(1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl)-m-cresolEXO-6-(1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL)-M-CRESOLEINECS 245-033-3DTXSID90177013NYYGACIUGBJQHR-IFIJOSMWSA-N5-METHYL-2-[(1S,2R,4R)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL]PHENOLNS00027199
Database identifiers
- CAS
22488-23-9- PubChem CID
- 89731
- DTXSID
DTXSID90177013- EC Number
- 245-033-3
- Nikkaji
- J282.993B
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
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Compound notes
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