2-(4-Fluorophenyl)-4-methylpentane-2,4-diol
Basic information
- CAS
21239-68-9- Standard SMILES
CC(C)(O)CC(C)(O)c1ccc(F)cc1- InChIKey
AOLRDGPKSPZUDT-UHFFFAOYSA-N- Molecular formula
- C12H17FO2
- Average molar mass
- 212.26 g/mol
- Monoisotopic mass
- 212.12125794
Names & identifiers
- Preferred name
- 2-(4-Fluorophenyl)-4-methylpentane-2,4-diol
- IUPAC
- 2-(4-fluorophenyl)-4-methylpentane-2,4-diol
- English name
- 2-(p-Fluorophenyl)-4-methyl-2,4-pentanediol
- Molecular formula
- C12H17FO2
- Molecular weight
- 212.26
Names & synonyms
2-(4-fluorophenyl)-4-methylpentane-2,4-diol21239-68-9DTXSID70943657RefChem:1061250DTXCID201372022RD 6001BRN 2371813p-Fluorophenyl-1-methyl-1-dimethyl-3,3 propanediol-1,32,4-Pentanediol, 2-(p-fluorophenyl)-4-methyl-2-(p-Fluorophenyl)-4-methyl-2,4-pentanediol2,4-Pentanediol, 2-(4-fluorophenyl)-4-methyl-
Database identifiers
- CAS
21239-68-9- PubChem CID
- 210402
- DTXSID
DTXSID70943657- Nikkaji
- J49.935H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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