Basic information
- Standard SMILES
C=CCC(O)C#Cc1ccc(Cl)c(Cl)c1- InChIKey
CNJYQWFWRJEALF-UHFFFAOYSA-N- Molecular formula
- C12H10Cl2O
- Average molar mass
- 241.11 g/mol
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorophenyl)hex-5-en-1-yn-3-ol
- IUPAC
- 1-(3,4-dichlorophenyl)hex-5-en-1-yn-3-ol
Names & synonyms
1-(3,4-dichlorophenyl)hex-5-en-1-yn-3-olSCHEMBL730494CNJYQWFWRJEALF-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 59779152
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 276
Related reactions
2 records
Compound notes
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