Basic information
- Standard SMILES
C#Cc1cc(C)c(OCc2ccccc2)c(C)c1- InChIKey
JBROAVQZTYYRFY-UHFFFAOYSA-N- Molecular formula
- C17H16O
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.12011513
Names & identifiers
- Preferred name
- 2-Benzyloxy-5-ethynyl-1,3-dimethylbenzene
- IUPAC
- 5-ethynyl-1,3-dimethyl-2-phenylmethoxybenzene
Names & synonyms
SCHEMBL3484162-(BENZYLOXY)-5-ETHYNYL-1,3-DIMETHYLBENZENEJBROAVQZTYYRFY-UHFFFAOYSA-N1044872-15-22-benzyloxy-5-ethynyl-1,3-dimethylbenzeneDB-202303
Database identifiers
- PubChem CID
- 53434201
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Related reactions
8 records
Compound notes
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