2-Butyl-4-chlorophenol
Basic information
- CAS
19010-45-8- Standard SMILES
CCCCc1cc(Cl)ccc1O- InChIKey
COSYXLHTXXMVGM-UHFFFAOYSA-N- Molecular formula
- C10H13ClO
- Average molar mass
- 184.66 g/mol
- Monoisotopic mass
- 184.0654927
Names & identifiers
- Preferred name
- 2-Butyl-4-chlorophenol
- IUPAC
- 2-butyl-4-chlorophenol
Names & synonyms
2-butyl-4-chlorophenol19010-45-8DTXSID60172479RefChem:86034DTXCID20949704-chloro-2-butylphenolSCHEMBL573716
Database identifiers
- CAS
19010-45-8- PubChem CID
- 29382
- DTXSID
DTXSID60172479- Nikkaji
- J727.016J
Properties
Computed structural properties
- XLogP
- 4.3
- 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
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Compound notes
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