Basic information
- CAS
53889-58-0- Standard SMILES
CC(C)=Cc1cccc(Cl)c1O- InChIKey
BRBLTEVGEHYFCW-UHFFFAOYSA-N- Molecular formula
- C10H11ClO
- Average molar mass
- 182.64 g/mol
- Monoisotopic mass
- 182.0498427
Names & identifiers
- Preferred name
- 2-Chloro-6-(2-methylprop-1-en-1-yl)phenol
- IUPAC
- 2-chloro-6-(2-methylprop-1-enyl)phenol
Names & synonyms
53889-58-02-Chloro-6-(2-methylprop-1-en-1-yl)phenolSCHEMBL9530709DTXSID40545501
Database identifiers
- CAS
53889-58-0- PubChem CID
- 13633795
- DTXSID
DTXSID40545501- Nikkaji
- J106.067H
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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