Basic information
- CAS
79162-47-3- Standard SMILES
CCCCCCCCc1ccc(O)c(Cl)c1- InChIKey
WLHBVLZZOJGNGQ-UHFFFAOYSA-N- Molecular formula
- C14H21ClO
- Average molar mass
- 240.77 g/mol
- Monoisotopic mass
- 240.128093
Names & identifiers
- Preferred name
- 2-Chloro-4-octylphenol
- IUPAC
- 2-chloro-4-octylphenol
Names & synonyms
2-chloro-4-octylphenol79162-47-3NSC746642-chloro-4-octyl-phenolNCIOpen2_003934SCHEMBL11143625SCHEMBL11143627DTXSID30291282NSC-74664DS-013115
Database identifiers
- CAS
79162-47-3- PubChem CID
- 252587
- DTXSID
DTXSID30291282
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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