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Basic information
- Standard SMILES
C=C(C)CC(O)(CCCl)c1ccc(F)cc1- InChIKey
OBGBXSOHDZQPNI-UHFFFAOYSA-N- Molecular formula
- C13H16ClFO
- Average molar mass
- 242.71 g/mol
- Monoisotopic mass
- 242.087371
Names & identifiers
- Preferred name
- 1-Chloro-3-(4-fluorophenyl)-5-methylhex-5-en-3-ol
- IUPAC
- 1-chloro-3-(4-fluorophenyl)-5-methylhex-5-en-3-ol
Names & synonyms
SCHEMBL1185511-chloro-3-(4-fluorophenyl)-5-methylhex-5-en-3-olOBGBXSOHDZQPNI-UHFFFAOYSA-N1192838-38-2DB-089323
Database identifiers
- PubChem CID
- 59635674
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Related reactions
11 records
Compound notes
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