Basic information
- CAS
1261917-48-9- Standard SMILES
Cc1cc(O)cc(-c2cc(Cl)ccc2Cl)c1- InChIKey
NCBUEVIQOSZCFE-UHFFFAOYSA-N- Molecular formula
- C13H10Cl2O
- Average molar mass
- 253.12 g/mol
- Monoisotopic mass
- 252.0108703
Names & identifiers
- Preferred name
- 5-(2,5-Dichlorophenyl)-3-methylphenol
- IUPAC
- 3-(2,5-dichlorophenyl)-5-methylphenol
Names & synonyms
1261917-48-95-(2,5-DICHLOROPHENYL)-3-METHYLPHENOLMFCD183133893-(2,5-dichlorophenyl)-5-methylphenolDTXSID006839583-(2,5-dichlorophenyl)-5-methyl-phenol5-(2,5-Dichlorophenyl)-3-methylphenol, 95%2',5'-Dichloro-5-methyl[1,1'-biphenyl]-3-ol2',5'-Dichloro-5-methyl-[1,1'-biphenyl]-3-olA1-113148
Database identifiers
- CAS
1261917-48-9- PubChem CID
- 53219082
- DTXSID
DTXSID00683958
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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