4-(3-Chlorobenzyl)benzene-1,3-diol
Basic information
- CAS
6280-44-0- Standard SMILES
Oc1ccc(Cc2cccc(Cl)c2)c(O)c1- InChIKey
DXKULHSBRTUPKH-UHFFFAOYSA-N- Molecular formula
- C13H11ClO2
- Average molar mass
- 234.68 g/mol
- Monoisotopic mass
- 234.0447573
Names & identifiers
- Preferred name
- 4-(3-Chlorobenzyl)benzene-1,3-diol
- IUPAC
- 4-[(3-chlorophenyl)methyl]benzene-1,3-diol
Names & synonyms
6280-44-04-(3-chlorobenzyl)benzene-1,3-diol4-[(3-chlorophenyl)methyl]benzene-1,3-diolNSC11151DTXSID50279047NSC-11151
Database identifiers
- CAS
6280-44-0- PubChem CID
- 223472
- DTXSID
DTXSID50279047
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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