2-Phenyl-3-butyn-2-ol
Properties
- Molecular formula
- C10H10O
- Molar mass
- 146.19 g/mol
- Exact mass
- 146.0732 Da
- Melting point
- 52.3 °C
- Boiling point
- 217.5 °C
- logP
- 1.53Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
127-66-2SMILES
C#CC(C)(O)c1ccccc1InChIKey
KSLSOBUAIFEGLT-UHFFFAOYSA-NInChI
InChI=1S/C10H10O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,4-8,11H,2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Benzenemethanol, α-ethynyl-α-methyl-
- 3-Butyn-2-ol, 2-phenyl-
- Benzyl alcohol, α-ethynyl-α-methyl-
- α-Ethynyl-α-methylbenzenemethanol
- 3-Phenyl-1-butyn-3-ol
- Methylphenylethynylcarbinol
- Ethynylmethylphenylcarbinol
- 2-Hydroxy-2-phenyl-3-butyne
- 3-Phenylbutyn-3-ol
- 2-Phenyl-2-hydroxy-3-butyne
- NSC 4329
- 3-Hydroxy-3-phenyl-1-butyne
Work with 2-Phenyl-3-butyn-2-ol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,1-Diphenyl-2-propyn-1-ol3923-52-257 % similar
1,1-Diphenylethanol599-67-746 % similar
2-Phenyl-2-propanol617-94-746 % similar
2-Methyl-1-phenyl-3-butyne-1,2-diol2033-94-544 % similar
α-Methyl-α-phenylbenzeneacetonitrile5558-67-843 % similar
1,1,4,4-Tetraphenyl-2-butyne-1,4-diol1483-74-541 % similar
Malachite green carbinol510-13-441 % similar
2,3-Dimethyl-2,3-diphenylbutane1889-67-441 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds