4-(4-Fluorophenyl)cyclohexan-1-ol
Basic information
- CAS
77412-73-8- Standard SMILES
OC1CCC(c2ccc(F)cc2)CC1- InChIKey
GDYPIOYVMUIWGX-UHFFFAOYSA-N- Molecular formula
- C12H15FO
- Average molar mass
- 194.24 g/mol
- Monoisotopic mass
- 194.11069326
Names & identifiers
- Preferred name
- 4-(4-Fluorophenyl)cyclohexan-1-ol
- IUPAC
- 4-(4-fluorophenyl)cyclohexan-1-ol
- English name
- 4-(4-Fluoro-phenyl)-cyclohexanol
- Molecular formula
- C12H15FO
- Molecular weight
- 194.25
Names & synonyms
4-(4-Fluorophenyl)cyclohexanol77412-73-84-(4-fluorophenyl)cyclohexan-1-olSCHEMBL11210550SCHEMBL23484596DTXSID80397925SB84086SR-01000388845SR-01000388845-14-(4-Fluoro-phenyl)-cyclohexanolCyclohexanol, 4-(4-fluorophenyl)-
Database identifiers
- CAS
77412-73-8- PubChem CID
- 3913467
- DTXSID
DTXSID80397925- Nikkaji
- J3.117.942D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 294.3 · 294.3±40.0 °C(Predicted)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- pka
- 15.17 · 15.17±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
1 records
Compound notes
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