2,4-Dimethyl-6-octylphenol
Basic information
- CAS
19371-09-6- Standard SMILES
CCCCCCCCc1cc(C)cc(C)c1O- InChIKey
DRRDTKUTHYHEKE-UHFFFAOYSA-N- Molecular formula
- C16H26O
- Average molar mass
- 234.38 g/mol
- Monoisotopic mass
- 234.19836545
Names & identifiers
- Preferred name
- 2,4-Dimethyl-6-octylphenol
- IUPAC
- 2,4-dimethyl-6-octylphenol
Names & synonyms
Phenol, 2,4-dimethyl-6-octyl-19371-09-62,4-dimethyl-6-octylphenolSCHEMBL94454DTXSID80517702
Database identifiers
- CAS
19371-09-6- PubChem CID
- 13086199
- DTXSID
DTXSID80517702
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 190
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Compound notes
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