3,6-Dimethyl-2-(2-methylprop-1-en-1-yl)phenol
Basic information
- CAS
86847-45-2- Standard SMILES
CC(C)=Cc1c(C)ccc(C)c1O- InChIKey
GKLANDPTGTZNGL-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 3,6-Dimethyl-2-(2-methylprop-1-en-1-yl)phenol
- IUPAC
- 3,6-dimethyl-2-(2-methylprop-1-enyl)phenol
Names & synonyms
86847-45-2DTXSID005269973,6-Dimethyl-2-(2-methylprop-1-en-1-yl)phenolRefChem:272404DTXCID30477802
Database identifiers
- CAS
86847-45-2- PubChem CID
- 13201009
- DTXSID
DTXSID00526997
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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