6-exo-Isocamphanyl-3,4-xylenol

HCID 214946

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Basic information

CAS: 34633-00-6
Standard SMILES: Cc1cc(O)c(C2CC3CC2C(C)C3(C)C)cc1C
InChIKey: QVKROXHNVAKLSP-UHFFFAOYSA-N
Molecular formula: C18H26O
Average molar mass: 258.4 g/mol
Monoisotopic mass: 258.19836545

Names & identifiers

Preferred name: 6-exo-Isocamphanyl-3,4-xylenol
IUPAC: 4,5-dimethyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol

Names & synonyms

6-exo-Isocamphanyl-3,4-xylenol34633-00-6(exo,exo)-4,5-Dimethyl-2-(5,5,6-trimethylbicyclo(2.2.1)hept-2-yl)phenolPhenol, 4,5-dimethyl-2-(5,5,6-trimethylbicyclo(2.2.1)hept-2-yl)-, (exo,exo)-RefChem:308317DTXSID509561294,5-Dimethyl-2-(5,5,6-trimethylbicyclo[2.2.1]heptan-2-yl)phenol

Database identifiers

CAS: 34633-00-6
PubChem CID: 214946
DTXSID: DTXSID50956129

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 348

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