2-Phenyl-3-butyn-2-ol

• CAS: 127-66-2
• Catalog Number: ACM127662
• Category: Alkynes
• Molecular Weight: 146.19
• Molecular Formula: C6H5C(CH3)(OH)C≡CH
• Hazard Statements: H315-H319-H335
• MDL Number: MFCD00004454
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 2-Phenyl-3-butyn-2-ol?

The molecular formula is C10H10O.

What is the molecular weight of 2-Phenyl-3-butyn-2-ol?

The molecular weight is 146.19 g/mol.

What is the IUPAC name of 2-Phenyl-3-butyn-2-ol?

The IUPAC name is 2-phenylbut-3-yn-2-ol.

What is the InChI of 2-Phenyl-3-butyn-2-ol?

The InChI is InChI=1S/C10H10O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,4-8,11H,2H3.

What is the InChIKey of 2-Phenyl-3-butyn-2-ol?

The InChIKey is KSLSOBUAIFEGLT-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Phenyl-3-butyn-2-ol?

The canonical SMILES is CC(C#C)(C1=CC=CC=C1)O.

What is the CAS number of 2-Phenyl-3-butyn-2-ol?

The CAS number is 127-66-2.

How many hydrogen bond donor atoms are there in 2-Phenyl-3-butyn-2-ol?

There is 1 hydrogen bond donor atom.

How many rotatable bonds are there in 2-Phenyl-3-butyn-2-ol?

There are 2 rotatable bonds.

What is the topological polar surface area of 2-Phenyl-3-butyn-2-ol?

The topological polar surface area is 20.2 Ų.

Synthetic Use

Downstream Synthesis Route 1

• 127-66-2
• 75092-26-1

• 79229-74-6

Reference: [1]Bulletin of the Academy of Sciences of the USSR Division of Chemical Science,1981,vol. 30,p. 1071 - 1076
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1981,p. 1342 - 1348

Downstream Synthesis Route 2

• 127-66-2
• 20151-40-0

• 152570-22-4

Reference: [1]Journal of Heterocyclic Chemistry,1993,vol. 30,p. 1057 - 1060

Downstream Synthesis Route 3

• 127-66-2
• 133910-12-0

• 188957-24-6

Reference: [1]Pelter, Andrew; Hussain, Amjad; Smith, Gareth; Ward, Robert S.
[Tetrahedron, 1997, vol. 53, # 11, p. 3879 - 3916]

* For details of the synthesis route, please refer to the original source to ensure accuracy.