Basic information
- CAS
18980-02-4- Standard SMILES
CCCCc1ccc(O)c(Cl)c1- InChIKey
XKPPCQGTLVOZEG-UHFFFAOYSA-N- Molecular formula
- C10H13ClO
- Average molar mass
- 184.66 g/mol
- Monoisotopic mass
- 184.0654927
Names & identifiers
- Preferred name
- 4-Butyl-2-chlorophenol
- IUPAC
- 4-butyl-2-chlorophenol
Names & synonyms
4-butyl-2-chlorophenol18980-02-4SCHEMBL574235SCHEMBL10941414DTXSID70274872EN300-843570
Database identifiers
- CAS
18980-02-4- PubChem CID
- 29358
- DTXSID
DTXSID70274872- Nikkaji
- J1.557.380E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 127
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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