Basic information
- CAS
6712-32-9- Standard SMILES
CC#CC(C)(O)c1ccccc1- InChIKey
JAUWMBGLPFUMJR-UHFFFAOYSA-N- Molecular formula
- C11H12O
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.088815
Names & identifiers
- Preferred name
- alpha-Methyl-alpha-1-propyn-1-ylbenzenemethanol
- IUPAC
- 2-phenylpent-3-yn-2-ol
Names & synonyms
6712-32-9alpha-Methyl-alpha-1-propyn-1-ylbenzenemethanolRefChem:3184622-phenylpent-3-yn-2-olSCHEMBL10271603DTXSID601279183H20446I+/--Methyl-I+/--1-propyn-1-ylbenzenemethanolF554418
Database identifiers
- CAS
6712-32-9- PubChem CID
- 10103433
- DTXSID
DTXSID601279183- Nikkaji
- J513.801I
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 202
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…