1-[4-(1-Hydroxyethyl)phenyl]ethanol
Basic information
- CAS
6781-43-7- Standard SMILES
CC(O)c1ccc(C(C)O)cc1- InChIKey
BHCGGVIVFXWATI-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- 1-[4-(1-Hydroxyethyl)phenyl]ethanol
- IUPAC
- 1-[4-(1-hydroxyethyl)phenyl]ethanol
- English name
- 1,4-Benzenedimethanol, α1,α4-dimethyl-
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
6781-43-71,1'-(1,4-Phenylene)bis(ethan-1-ol)1-[4-(1-hydroxyethyl)phenyl]ethanolphenylene-ethanolNSC295554Cambridge id 5133046Oprea1_692726SCHEMBL40655SCHEMBL11747913DTXSID40315605BHCGGVIVFXWATI-UHFFFAOYSA-NHMS1577D17
Show more names
1,1'-benzene-1,4-diyldiethanol,4-Benzenedimethanol, α1,α4-dimethyl-1,4-Benzenedimethanol, α1,α4-dimethyl-
AKOS006273953NSC-295554SDCCGMLS-0064638.P0011,1'-(1,4-Phenylene)di(ethan-1-ol)1-(4-(1-HYDROXY-ETHYL)-PHENYL)-ETHANOL10.14272/BHCGGVIVFXWATI-UHFFFAOYSA-N.11,4-Benzenedimethanol, .alpha.,.alpha.'-dimethyl-doi:10.14272/BHCGGVIVFXWATI-UHFFFAOYSA-N.1
Database identifiers
- CAS
6781-43-7- PubChem CID
- 325945
- DTXSID
DTXSID40315605- Nikkaji
- J777.029D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Melting point
- 86 °C · 86 °C
- Boiling point
- 104 °C · 104 °C(Press: 0.2 Torr)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- pka
- 14.18 · 14.18±0.20(Predicted)
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Compound notes
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