Basic information
- CAS
6279-19-2- Standard SMILES
Cc1ccc(O)c(Cc2cccc(Cl)c2)c1- InChIKey
GVXYKPQAFFZCJX-UHFFFAOYSA-N- Molecular formula
- C14H13ClO
- Average molar mass
- 232.7 g/mol
- Monoisotopic mass
- 232.0654927
Names & identifiers
- Preferred name
- 2-[(3-Chlorophenyl)methyl]-4-methylphenol
- IUPAC
- 2-[(3-chlorophenyl)methyl]-4-methylphenol
Names & synonyms
2-[(3-chlorophenyl)methyl]-4-methylphenol6279-19-2NSC11182SCHEMBL30022514DTXSID40279071NSC-11182
Database identifiers
- CAS
6279-19-2- PubChem CID
- 223501
- DTXSID
DTXSID40279071
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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