2,4,6-Trichloro-3-methoxy-5-methylphenol
Basic information
- CAS
110605-31-7- Standard SMILES
COc1c(Cl)c(C)c(Cl)c(O)c1Cl- InChIKey
RAJAPXXMSSDPFO-UHFFFAOYSA-N- Molecular formula
- C8H7Cl3O2
- Average molar mass
- 241.5 g/mol
- Monoisotopic mass
- 239.951163
Names & identifiers
- Preferred name
- 2,4,6-Trichloro-3-methoxy-5-methylphenol
- IUPAC
- 2,4,6-trichloro-3-methoxy-5-methylphenol
Names & synonyms
2,4,6-Trichloro-3-methoxy-5-methylphenol110605-31-7DTXSID80347081RefChem:245740DTXCID10298153Phenol, 2,4,6-trichloro-3-methoxy-5-methyl-CHEMBL445293SCHEMBL21614385RAJAPXXMSSDPFO-UHFFFAOYSA-N2,4,6-Trichloro-3-methoxy-5-methylphenol #
Database identifiers
- CAS
110605-31-7- PubChem CID
- 617690
- DTXSID
DTXSID80347081- ChEMBL
CHEMBL445293- Nikkaji
- J968.909E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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