Basic information
- CAS
40645-19-0- Standard SMILES
Cc1ccc(OCC(=O)C2CSc3ccc(Cl)cc32)cc1- InChIKey
MUKFZQHDZCVKFG-UHFFFAOYSA-N- Molecular formula
- C17H15ClO2S
- Average molar mass
- 318.8 g/mol
- Monoisotopic mass
- 318.0481286
Names & identifiers
- Preferred name
- 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone
- IUPAC
- 1-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone
Names & synonyms
1-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone40645-19-0DTXSID70302669RefChem:225710DTXCID10253803NSC152559NSC-1525591-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethan-1-one
Database identifiers
- CAS
40645-19-0- PubChem CID
- 290002
- DTXSID
DTXSID70302669
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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