1-{3-Chloro-4-[(prop-2-yn-1-yl)oxy]phenyl}ethan-1-ol
Basic information
- CAS
1565469-53-5- Standard SMILES
C#CCOc1ccc(C(C)O)cc1Cl- InChIKey
QLKFTAVMMUXCEJ-UHFFFAOYSA-N- Molecular formula
- C11H11ClO2
- Average molar mass
- 210.65 g/mol
- Monoisotopic mass
- 210.0447573
Names & identifiers
- Preferred name
- 1-{3-Chloro-4-[(prop-2-yn-1-yl)oxy]phenyl}ethan-1-ol
- IUPAC
- 1-(3-chloro-4-prop-2-ynoxyphenyl)ethanol
Names & synonyms
DTXSID4012010791-{3-Chloro-4-[(prop-2-yn-1-yl)oxy]phenyl}ethan-1-olBenzenemethanol, 3-chloro-I+/--methyl-4-(2-propyn-1-yloxy)-1565469-53-5
Database identifiers
- CAS
1565469-53-5- PubChem CID
- 104238366
- DTXSID
DTXSID401201079
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
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Compound notes
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