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

HCID 21990865
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Basic information

Standard SMILES
CCCCC1(CCC(=O)CCC)Cc2c(cc(F)c(OC)c2C)C1=O
InChIKey
HTELIITUIYMEDY-UHFFFAOYSA-N
Molecular formula
C21H29FO3
Average molar mass
348.5 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL2418177HTELIITUIYMEDY-UHFFFAOYSA-N2-butyl-6-fluoro-5-methoxy-4-methyl-2-(3-oxohexyl)-1-indanone

Database identifiers

PubChem CID
21990865

Properties

Computed structural properties

XLogP
4.8
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
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Compound notes

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