Basic information
- CAS
103151-49-1- Standard SMILES
CCCCCCCc1cccc(O)c1- InChIKey
KCDFHCLOYLFCDE-UHFFFAOYSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Names & identifiers
- Preferred name
- Phenol, 3-heptyl-
- IUPAC
- 3-heptylphenol
- English name
- 3-Heptylphenol
- Molecular weight
- 0
Names & synonyms
Phenol, 3-heptyl-103151-49-1DTXSID40275058RefChem:369171DTXCID002265063-heptylphenolSCHEMBL1840864
Database identifiers
- CAS
103151-49-1- PubChem CID
- 33667
- DTXSID
DTXSID40275058- Nikkaji
- J141.392I
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 133
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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