2-Butyl-4-chloro-6-fluoro-5-methoxy-2-(3-oxohexyl)-1-indanone

HCID 21990889
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Basic information

Standard SMILES
CCCCC1(CCC(=O)CCC)Cc2c(cc(F)c(OC)c2Cl)C1=O
InChIKey
APOYNVFPECGSES-UHFFFAOYSA-N
Molecular formula
C20H26ClFO3
Average molar mass
368.9 g/mol
Monoisotopic mass
368.1554505

Names & identifiers

Preferred name
2-Butyl-4-chloro-6-fluoro-5-methoxy-2-(3-oxohexyl)-1-indanone
IUPAC
2-butyl-4-chloro-6-fluoro-5-methoxy-2-(3-oxohexyl)-3H-inden-1-one

Names & synonyms

SCHEMBL2420070APOYNVFPECGSES-UHFFFAOYSA-N2-butyl-4-chloro-6-fluoro-5-methoxy-2-(3-oxohexyl)-1-indanone

Database identifiers

PubChem CID
21990889

Properties

Computed structural properties

XLogP
5
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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