Basic information
- CAS
1322-30-1- Standard SMILES
CCC(C)Cc1cccc(O)c1C- InChIKey
LFJZBYSEVYSNNT-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- 2-Methyl-3-(2-methylbutyl)phenol
- IUPAC
- 2-methyl-3-(2-methylbutyl)phenol
Names & synonyms
2-methyl-3-(2-methylbutyl)phenol1322-30-1Phenol, 2-methyl(2-methylbutyl)-DTXSID30927579
Database identifiers
- CAS
1322-30-1- PubChem CID
- 14867
- DTXSID
DTXSID30927579
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 144
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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