Basic information
- CAS
5457-73-8- Standard SMILES
OCCCOCCCOc1ccccc1- InChIKey
KXSXYMFBORCGQJ-UHFFFAOYSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559443
Names & identifiers
- Preferred name
- 3-(3-Phenoxypropoxy)propan-1-ol
- IUPAC
- 3-(3-phenoxypropoxy)propan-1-ol
Names & synonyms
5457-73-83-(3-phenoxypropoxy)propan-1-olNSC23955SCHEMBL972461SCHEMBL5175295DTXSID80282049NSC-23955
Database identifiers
- CAS
5457-73-8- PubChem CID
- 229892
- DTXSID
DTXSID80282049
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 133
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…