Basic information
- CAS
169337-51-3- Standard SMILES
COc1cc(CO)c(Cl)c(OC)c1O- InChIKey
HLZMQIZZCPUIJB-UHFFFAOYSA-N- Molecular formula
- C9H11ClO4
- Average molar mass
- 218.63 g/mol
- Monoisotopic mass
- 218.0345865
Names & identifiers
- Preferred name
- Benzenemethanol, 2-chloro-4-hydroxy-3,5-dimethoxy-
- IUPAC
- 3-chloro-4-(hydroxymethyl)-2,6-dimethoxyphenol
Names & synonyms
Benzenemethanol, 2-chloro-4-hydroxy-3,5-dimethoxy-169337-51-33-chloro-4-(hydroxymethyl)-2,6-dimethoxyphenolDTXSID30168703
Database identifiers
- CAS
169337-51-3- PubChem CID
- 178128
- DTXSID
DTXSID30168703- Nikkaji
- J691.874C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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