Basic information
- CAS
18979-96-9- Standard SMILES
CCCCCCCc1ccc(O)c(Cl)c1- InChIKey
WKGVLAKHOLNXOP-UHFFFAOYSA-N- Molecular formula
- C13H19ClO
- Average molar mass
- 226.74 g/mol
- Monoisotopic mass
- 226.1124429
Names & identifiers
- Preferred name
- 2-Chloro-4-heptylphenol
- IUPAC
- 2-chloro-4-heptylphenol
Names & synonyms
2-chloro-4-heptylphenolSCHEMBL574396DTXSID20940499
Database identifiers
- CAS
18979-96-9- PubChem CID
- 29356
- DTXSID
DTXSID20940499- Nikkaji
- J1.558.602H
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…