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Basic information
- CAS
75217-43-5- Standard SMILES
COc1ccc(C(O)C(CO)Oc2ccccc2)cc1OC- InChIKey
VTOMTZDFNHCMBR-UHFFFAOYSA-N- Molecular formula
- C17H20O5
- Average molar mass
- 304.34 g/mol
- Monoisotopic mass
- 304.13107373
Names & identifiers
- Preferred name
- 2-Phenoxy-1-(3,4-dimethoxyphenyl)propan-1,3-diol
- IUPAC
- 1-(3,4-dimethoxyphenyl)-2-phenoxypropane-1,3-diol
Names & synonyms
75217-43-52-PHENOXY-1-(3,4-DIMETHOXYPHENYL)PROPAN-1,3-DIOL1-(3,4-dimethoxyphenyl)-2-phenoxypropane-1,3-diolDTXSID009966761-(3,4-dimethoxyphenyl)-2-(phenoxy)propan-1,3-diol
Database identifiers
- CAS
75217-43-5- PubChem CID
- 53178
- DTXSID
DTXSID00996676- Nikkaji
- J706.920K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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