3-(2,4,6-Trimethylphenyl)prop-2-yn-1-ol
Basic information
- CAS
774-10-7- Standard SMILES
Cc1cc(C)c(C#CCO)c(C)c1- InChIKey
IUDAJVZEUIDFQX-UHFFFAOYSA-N- Molecular formula
- C12H14O
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.10446507
Names & identifiers
- Preferred name
- 3-(2,4,6-Trimethylphenyl)prop-2-yn-1-ol
- IUPAC
- 3-(2,4,6-trimethylphenyl)prop-2-yn-1-ol
Names & synonyms
3-(2,4,6-trimethylphenyl)prop-2-yn-1-ol774-10-7DTXSID70734027RefChem:273401DTXCID30684771
Database identifiers
- CAS
774-10-7- PubChem CID
- 60800577
- DTXSID
DTXSID70734027- Nikkaji
- J1.069.257A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
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