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Basic information
- Standard SMILES
CC(/C=C/c1cccc(Oc2ccccc2)c1)OC(=O)CCl- InChIKey
KQMZNLGQKAFNIN-ZHACJKMWSA-N- Molecular formula
- C18H17ClO3
- Average molar mass
- 316.8 g/mol
- Monoisotopic mass
- 316.0866221
Names & identifiers
- Preferred name
- (E)-1-(3-phenoxyphenyl)but-1-en-3-yl chloroacetate
- IUPAC
- [(E)-4-(3-phenoxyphenyl)but-3-en-2-yl] 2-chloroacetate
Names & synonyms
SCHEMBL9781060KQMZNLGQKAFNIN-ZHACJKMWSA-N(E)-1-(3-phenoxyphenyl)but-1-en-3-yl chloroacetate(+/-)-(E)-1-(3-Phenoxyphenyl)but-1-en-3-yl chloroacetate
Database identifiers
- PubChem CID
- 20073365
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Related reactions
2 records
Compound notes
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