Basic information
- Standard SMILES
COC(=O)c1ccc(OC)cc1C#CCC(C)C- InChIKey
DEKWTIXRDZNZMF-UHFFFAOYSA-N- Molecular formula
- C15H18O3
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.12559443
Names & identifiers
- Preferred name
- Methyl 4-(methyloxy)-2-(4-methyl-1-pentyn-1-yl)benzoate
- IUPAC
- methyl 4-methoxy-2-(4-methylpent-1-ynyl)benzoate
Names & synonyms
SCHEMBL3163403DEKWTIXRDZNZMF-UHFFFAOYSA-NMethyl 4-(methyloxy)-2-(4-methyl-1-pentyn-1-yl)benzoate
Database identifiers
- PubChem CID
- 68534814
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 334
Related reactions
4 records
Compound notes
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