Basic information
- CAS
7495-70-7- Standard SMILES
CCCCCc1cc(O)ccc1Cl- InChIKey
XVSMMIISKLDSDG-UHFFFAOYSA-N- Molecular formula
- C11H15ClO
- Average molar mass
- 198.69 g/mol
- Monoisotopic mass
- 198.0811428
Names & identifiers
- Preferred name
- 4-Chloro-3-pentylphenol
- IUPAC
- 4-chloro-3-pentylphenol
Names & synonyms
7495-70-74-chloro-3-pentylphenolNSC407753DTXSID00324819NSC-407753
Database identifiers
- CAS
7495-70-7- PubChem CID
- 348455
- DTXSID
DTXSID00324819
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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