Basic information
- Standard SMILES
COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)cc1OC1CCCC1- InChIKey
PXCWNWXPOWAWKT-UHFFFAOYSA-N- Molecular formula
- C19H19Cl2NO3
- Average molar mass
- 380.3 g/mol
- Monoisotopic mass
- 379.0741989
Names & identifiers
- Preferred name
- 3-Cyclopentyloxy-4-methoxyphenyl 3,5-dichloropyrid-4-ylmethyl ketone
- IUPAC
- 1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanone
Names & synonyms
SCHEMBL1028931PXCWNWXPOWAWKT-UHFFFAOYSA-N3-cyclopentyloxy-4-methoxyphenyl 3,5-dichloropyrid-4-ylmethyl ketone1-(3-cyclopentyloxy-4-methoxy-phenyl)-2-(3,5-dichloro -pyridin-4-yl)-ethanone1-(3-cyclopentyloxy-4-methoxy-phenyl)-2-(3,5-dichloro-pyridin-4-yl)-ethanone
Database identifiers
- PubChem CID
- 21469578
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 434
Related reactions
18 records
Linked notes
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