Phenol, 2,4-dimethyl-6-(1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)-, exo-
Basic information
- CAS
34379-49-2- Standard SMILES
Cc1cc(C)c(O)c(C2CC3CCC2(C)C3(C)C)c1- InChIKey
ZOMWPAHEBIICIQ-UHFFFAOYSA-N- Molecular formula
- C18H26O
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.19836545
Names & identifiers
- Preferred name
- Phenol, 2,4-dimethyl-6-(1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)-, exo-
- IUPAC
- 2,4-dimethyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
Names & synonyms
6-Isobornyl-2,4-xylenol34379-49-2exo-2,4-Dimethyl-6-(1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)phenolPhenol, 2,4-dimethyl-6-(1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)-, exo-RefChem:3689102,4-dimethyl-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol5439-25-8NSC150822,4-Dimethyl-6-isobornylphenolDTXSID40955929NSC-150822,4-Dimethyl-6-(1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)phenol
Database identifiers
- CAS
34379-49-2、5439-25-8- PubChem CID
- 214836
- DTXSID
DTXSID40955929
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
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Compound notes
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