2-(3-Hexyl)phenol
Basic information
- CAS
91763-74-5- Standard SMILES
CCCC(CC)c1ccccc1O- InChIKey
UVOWWKIXBXXDMK-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- 2-(3-Hexyl)phenol
- IUPAC
- 2-hexan-3-ylphenol
Names & synonyms
2-(3-Hexyl)phenol91763-74-52-(1-Ethylbutyl)phenol2-(hexan-3-yl)phenolSCHEMBL982520SCHEMBL2697185DTXSID50919537UVOWWKIXBXXDMK-UHFFFAOYSA-N
Database identifiers
- CAS
91763-74-5- PubChem CID
- 145227
- DTXSID
DTXSID50919537- Nikkaji
- J489.781A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 133
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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