1-Phenoxy-3-(prop-1-yn-1-yl)benzene
Basic information
- CAS
64261-78-5- Standard SMILES
CC#Cc1cccc(Oc2ccccc2)c1- InChIKey
OBTDVRGUJLGMIN-UHFFFAOYSA-N- Molecular formula
- C15H12O
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.088815
Names & identifiers
- Preferred name
- 1-Phenoxy-3-(prop-1-yn-1-yl)benzene
- IUPAC
- 1-phenoxy-3-prop-1-ynylbenzene
Names & synonyms
1-Phenoxy-3-(prop-1-yn-1-yl)benzene64261-78-5SCHEMBL9542085SCHEMBL9542091DTXSID60601936
Database identifiers
- CAS
64261-78-5- PubChem CID
- 20041595
- DTXSID
DTXSID60601936
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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