Basic information
- CAS
750624-43-2- Standard SMILES
C#CCOc1c(C)cc(O)cc1C- InChIKey
GUMRRPYQCICJTJ-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
Names & identifiers
- Preferred name
- 3,5-Dimethyl-4-prop-2-ynoxyphenol
- IUPAC
- 3,5-dimethyl-4-prop-2-ynoxyphenol
- English name
- Phenol, 3,5-dimethyl-4-(2-propynyloxy)- (9CI)
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
750624-43-2DB-288467Phenol, 3,5-dimethyl-4-(2-propynyloxy)-Phenol, 3,5-dimethyl-4-(2-propyn-1-yloxy)-Phenol, 3,5-dimethyl-4-(2-propynyloxy)- (9CI)
Database identifiers
- CAS
750624-43-2- Nikkaji
- J2.078.474A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 72 · 72-73 °C
- Boiling point
- 310.1 · 310.1±42.0 °C(Predicted)
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- pka
- 10.36 · 10.36±0.25(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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