Basic information
- CAS
6283-97-2- Standard SMILES
CC(C)CC(C)(O)Cc1ccccc1Cl- InChIKey
VQXOHFQEUMTKKW-UHFFFAOYSA-N- Molecular formula
- C13H19ClO
- Average molar mass
- 226.74 g/mol
- Monoisotopic mass
- 226.1124429
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol
- IUPAC
- 1-(2-chlorophenyl)-2,4-dimethylpentan-2-ol
Names & synonyms
6283-97-21-(2-chlorophenyl)-2,4-dimethylpentan-2-olNSC7148DTXSID40278408NSC-7148
Database identifiers
- CAS
6283-97-2- PubChem CID
- 222003
- DTXSID
DTXSID40278408
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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