Basic information
- CAS
40211-07-2- Standard SMILES
CCCCCC(C)c1cccc(C)c1O- InChIKey
LEAWUSWKTYDFNS-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- Phenol, 2-methyl-6-(1-methylhexyl)-
- IUPAC
- 2-heptan-2-yl-6-methylphenol
Names & synonyms
Phenol, 2-methyl-6-(1-methylhexyl)-40211-07-2RefChem:10948622-(heptan-2-yl)-6-methylphenol2-Methyl-6-(1-methylhexyl)phenolBRN 2254713CHEMBL286255SCHEMBL11810188DTXSID20960632
Database identifiers
- CAS
40211-07-2- PubChem CID
- 218079
- DTXSID
DTXSID20960632- ChEMBL
CHEMBL286255- Nikkaji
- J86.609A
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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