2-(3,4-Dimethoxyphenyl)propane-1,3-diol
Basic information
- CAS
20133-19-1- Standard SMILES
COc1ccc(C(CO)CO)cc1OC- InChIKey
IKMZQQPHAHZVKK-UHFFFAOYSA-N- Molecular formula
- C11H16O4
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.10485899
Names & identifiers
- Preferred name
- 2-(3,4-Dimethoxyphenyl)propane-1,3-diol
- IUPAC
- 2-(3,4-dimethoxyphenyl)propane-1,3-diol
- English name
- 1-(3,4-Dimethoxyphenyl)-1,2-propanediol
- Molecular formula
- C11H16O4
- Molecular weight
- 212.24
Names & synonyms
2-(3,4-dimethoxyphenyl)propane-1,3-diolDTXSID50942163Methyl isoeugenol glycol4-Dimethoxyphenyl)propane-11-(3,4-DIMETHOXYPHENYL)PROPANE-11-(3,4-Dimethoxyphenyl)propane-1,2-diol1-(3,4-Dimethoxyphenyl)-1,2-propanediol1,2-Propanediol, 1-(3,4-dimethoxyphenyl)-
Database identifiers
- CAS
20133-19-1- PubChem CID
- 88378
- DTXSID
DTXSID50942163
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 124 · 124-126 °C
- Boiling point
- 368.3 · 368.3±42.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.91 · 13.91±0.20(Predicted)
- LogP
- 0.12 · 0.120 (est)
- FDA UNII
- 6222 F124L · N6222F124L
Chemistry & industry
Applications
UsesMethyl isoeugenol glycol is a phenylpropanoids that can be isolated from Phanerochaete chrysosporium[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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