2-Phenyl-4-pentyn-2-ol
Basic information
- CAS
6712-35-2- Standard SMILES
C#CCC(C)(O)c1ccccc1- InChIKey
PLUHTHABGAEVIL-UHFFFAOYSA-N- Molecular formula
- C11H12O
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.088815
Names & identifiers
- Preferred name
- 2-Phenyl-4-pentyn-2-ol
- IUPAC
- 2-phenylpent-4-yn-2-ol
- English name
- α-Methyl-α-propargylbenzyl alcohol
- Molecular formula
- C11H12O
- Molecular weight
- 160.21
Names & synonyms
2-Phenyl-4-pentyn-2-ol2-phenylpent-4-yn-2-ol6712-35-2alpha-Methyl-alpha-propargylbenzyl alcohol4-Pentyn-2-ol, 2-phenyl-MFCD182961074-phenyl-1-pentyn-4-ol2-phenyl-pent-4-yn-2-ol2-Phenyl-4-pentyn-2-ol #Benzenemethanol, .alpha.-methyl-.alpha.-2-propynyl-SCHEMBL7675171DTXSID701281369
Show more names
1-Methyl-1-phenyl-3-butyne-1-olα-Methyl-α-propargylbenzyl alcoholBenzenemethanol, α-methyl-α-2-propyn-1-yl-
AC6574AKOS012525174SY047143I+/--Methyl-I+/--2-propyn-1-ylbenzenemethanol
Database identifiers
- CAS
6712-35-2- PubChem CID
- 569355
- DTXSID
DTXSID701281369- Nikkaji
- J112.961I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 77 · 77-79 °C(Press: 0.1 Torr)
- Density
- 1.028 g/cm3 · 1.028 g/cm3(Temp: 23 °C)
- pka
- 13.48 · 13.48±0.29(Predicted)
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Related reactions
3 records
Compound notes
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