1-Ethoxy-4-(prop-2-yn-1-yloxy)benzene
Basic information
- CAS
5651-84-3- Standard SMILES
C#CCOc1ccc(OCC)cc1- InChIKey
SZVUVVKBRBOFTB-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 1-Ethoxy-4-(prop-2-yn-1-yloxy)benzene
- IUPAC
- 1-ethoxy-4-prop-2-ynoxybenzene
Names & synonyms
5651-84-31-Ethoxy-4-(prop-2-yn-1-yloxy)benzene1-Ethoxy-4-prop-2-ynyloxy-benzeneSCHEMBL19543259DTXSID901289888MFCD14631238AKOS0089506301-Ethoxy-4-(2-propyn-1-yloxy)benzeneSY5020621-Ethoxy-4-[(prop-2-yn-1-yl)oxy]benzene
Database identifiers
- CAS
5651-84-3- PubChem CID
- 20701293
- DTXSID
DTXSID901289888
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
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Compound notes
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