Basic information
- Standard SMILES
COc1ccc(OC)c(C(O)C#Cc2ccccc2)c1- InChIKey
CDBHDMRXMUVGPY-UHFFFAOYSA-N- Molecular formula
- C17H16O3
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.10994437
Names & identifiers
- Preferred name
- 1-(2,5-Dimethoxyphenyl)-3-phenyl-2-propyn-1-ol
- IUPAC
- 1-(2,5-dimethoxyphenyl)-3-phenylprop-2-yn-1-ol
Names & synonyms
1-(2,5-dimethoxyphenyl)-3-phenyl-2-propyn-1-ol867192-72-1SCHEMBL1534424CDBHDMRXMUVGPY-UHFFFAOYSA-NDB-3451361-(2,5-Dimethoxy-phenyl)-3-phenyl-prop-2-yn-1-ol
Database identifiers
- PubChem CID
- 67067682
- Nikkaji
- J2.234.740C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Related reactions
2 records
Compound notes
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