Basic information
- CAS
68382-46-7- Standard SMILES
C#CC(C)(O)COc1ccccc1- InChIKey
MYEAINKAIHDCAJ-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 2-Methyl-1-phenoxybut-3-yn-2-ol
- IUPAC
- 2-methyl-1-phenoxybut-3-yn-2-ol
Names & synonyms
2-Methyl-1-phenoxybut-3-yn-2-ol68382-46-7SCHEMBL11527578DTXSID50631944MYEAINKAIHDCAJ-UHFFFAOYSA-N3-hydroxy-3-methyl-4-phenoxy-1-butyne
Database identifiers
- CAS
68382-46-7- PubChem CID
- 23266458
- DTXSID
DTXSID50631944- Nikkaji
- J1.314.146K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Related reactions
3 records
Compound notes
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