2-(4-Propylphenyl)propane-1,3-diol
Basic information
- CAS
102364-17-0- Standard SMILES
CCCc1ccc(C(CO)CO)cc1- InChIKey
ORJRCAATWAYUAO-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- 2-(4-Propylphenyl)propane-1,3-diol
- IUPAC
- 2-(4-propylphenyl)propane-1,3-diol
Names & synonyms
2-(4-Propylphenyl)propane-1,3-diol102364-17-01,3-Propanediol, 2-(4-propylphenyl)-SCHEMBL10612175DTXSID10513131
Database identifiers
- CAS
102364-17-0- PubChem CID
- 12924976
- DTXSID
DTXSID10513131
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 135
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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