Basic information
- CAS
21133-87-9- Standard SMILES
CCC(O)(CC)CC(C)(O)c1ccc(F)cc1- InChIKey
DEKTTZLLHCKGEN-UHFFFAOYSA-N- Molecular formula
- C14H21FO2
- Average molar mass
- 240.31 g/mol
- Monoisotopic mass
- 240.15255807
Names & identifiers
- Preferred name
- 2,4-Hexanediol, 2-(p-fluorophenyl)-4-ethyl-
- IUPAC
- 4-ethyl-2-(4-fluorophenyl)hexane-2,4-diol
- English name
- 4-Ethyl-2-(p-fluorophenyl)-2,4-hexanediol
- Molecular formula
- C14H21FO2
- Molecular weight
- 240.31
Names & synonyms
21133-87-92,4-HEXANEDIOL, 2-(p-FLUOROPHENYL)-4-ETHYL-RefChem:10598314-ethyl-2-(4-fluorophenyl)hexane-2,4-diolRD 6011p-Fluorophenyl-1-methyl-1-diethyl-3,3 propanediol-1,3BRN 23748394-Ethyl-2-(p-fluorophenyl)-2,4-hexanediolDTXSID509434582,4-Hexanediol, 4-ethyl-2-(4-fluorophenyl)-
Database identifiers
- CAS
21133-87-9- PubChem CID
- 30495
- DTXSID
DTXSID50943458- Nikkaji
- J49.397J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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