2-(3-Chlorobenzyl)-6-methylphenol
Basic information
- CAS
6279-17-0- Standard SMILES
Cc1cccc(Cc2cccc(Cl)c2)c1O- InChIKey
WSSPZTVQKVJBJU-UHFFFAOYSA-N- Molecular formula
- C14H13ClO
- Average molar mass
- 232.7 g/mol
- Monoisotopic mass
- 232.0654927
Names & identifiers
- Preferred name
- 2-(3-Chlorobenzyl)-6-methylphenol
- IUPAC
- 2-[(3-chlorophenyl)methyl]-6-methylphenol
Names & synonyms
2-[(3-chlorophenyl)methyl]-6-methylphenol6279-17-02-(3-chlorobenzyl)-6-methylphenolNSC11180DTXSID70279069NSC-11180
Database identifiers
- CAS
6279-17-0- PubChem CID
- 223499
- DTXSID
DTXSID70279069
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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