2-Chloro-4-hexylphenol
Basic information
- CAS
18980-05-7- Standard SMILES
CCCCCCc1ccc(O)c(Cl)c1- InChIKey
CILHYLRKAGMYJB-UHFFFAOYSA-N- Molecular formula
- C12H17ClO
- Average molar mass
- 212.71 g/mol
- Monoisotopic mass
- 212.0967929
Names & identifiers
- Preferred name
- 2-Chloro-4-hexylphenol
- IUPAC
- 2-chloro-4-hexylphenol
Names & synonyms
2-chloro-4-hexylphenol18980-05-7NSC9890Phenol, 2-chloro-4-hexyl-SCHEMBL574606DTXSID30940501NSC-9890
Database identifiers
- CAS
18980-05-7- PubChem CID
- 222864
- DTXSID
DTXSID30940501
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 149
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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