Basic information
- CAS
39195-68-1- Standard SMILES
CCCCCCCCc1cc2ccccc2o1- InChIKey
JKLGKNKYPOCBOI-UHFFFAOYSA-N- Molecular formula
- C16H22O
- Average molar mass
- 230.34 g/mol
- Monoisotopic mass
- 230.16706532
Names & identifiers
- Preferred name
- 2-Octyl-1-benzofuran
- IUPAC
- 2-octyl-1-benzofuran
Names & synonyms
2-octyl-1-benzofuran39195-68-1DTXSID30396403RefChem:264508DTXCID203472622-octylbenzofuranSCHEMBL8688187JKLGKNKYPOCBOI-UHFFFAOYSA-N
Database identifiers
- CAS
39195-68-1- PubChem CID
- 3787188
- DTXSID
DTXSID30396403- Nikkaji
- J1.569.294D
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 202
Related reactions
2 records
Compound notes
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