3-(3,4-Dimethylphenoxy)propane-1,2-diol
Basic information
- CAS
5469-71-6- Standard SMILES
Cc1ccc(OCC(O)CO)cc1C- InChIKey
RRPWOUKAVFCTKN-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- 3-(3,4-Dimethylphenoxy)propane-1,2-diol
- IUPAC
- 3-(3,4-dimethylphenoxy)propane-1,2-diol
Names & synonyms
3-(3,4-dimethylphenoxy)propane-1,2-diol5469-71-6DTXSID90282257RefChem:274026DTXCID40233411NSC25238NSC-25238AKOS021169530
Database identifiers
- CAS
5469-71-6- PubChem CID
- 230375
- DTXSID
DTXSID90282257
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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