Basic information
- CAS
52890-73-0- Standard SMILES
Oc1ccc(Cc2ccc(Cl)cc2)cc1- InChIKey
CSELFPNBUAQDMK-UHFFFAOYSA-N- Molecular formula
- C13H11ClO
- Average molar mass
- 218.68 g/mol
- Monoisotopic mass
- 218.0498427
Names & identifiers
- Preferred name
- 4-[(4-Chlorophenyl)methyl]phenol
- IUPAC
- 4-[(4-chlorophenyl)methyl]phenol
Names & synonyms
4-(4-chlorobenzyl)phenol52890-73-04-[(4-Chlorophenyl)methyl]phenolPhenol, 4-[(4-chlorophenyl)methyl]-4-(4-chlorobenzyl)-phenol4-(4'-chlorobenzyl)-phenol4-(4-chloro-benzyl)-phenolSCHEMBL2289447SCHEMBL8683710DTXSID50519511CSELFPNBUAQDMK-UHFFFAOYSA-NMFCD09952538
Database identifiers
- CAS
52890-73-0- PubChem CID
- 13122002
- DTXSID
DTXSID50519511- Nikkaji
- J2.317.026D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
8 records
Compound notes
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