Basic information
- CAS
1742-50-3- Standard SMILES
CCC(C)(O)Cc1ccc(Cl)cc1- InChIKey
PFSPKYBBEPZMAL-UHFFFAOYSA-N- Molecular formula
- C11H15ClO
- Average molar mass
- 198.69 g/mol
- Monoisotopic mass
- 198.0811428
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-2-methylbutan-2-ol
- IUPAC
- 1-(4-chlorophenyl)-2-methylbutan-2-ol
Names & synonyms
1742-50-31-(4-chlorophenyl)-2-methylbutan-2-olNSC7124SCHEMBL27666403DTXSID10278394NSC-7124
Database identifiers
- CAS
1742-50-3- PubChem CID
- 221983
- DTXSID
DTXSID10278394
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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