2-Butyl-5-methoxy-4-methyl-2-(3-oxo-butyl)-1-indanone

HCID 21990892
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Basic information

Standard SMILES
CCCCC1(CCC(C)=O)Cc2c(ccc(OC)c2C)C1=O
InChIKey
SXXIHWFIWWHKFX-UHFFFAOYSA-N
Molecular formula
C19H26O3
Average molar mass
302.4 g/mol

Names & identifiers

Preferred name
2-Butyl-5-methoxy-4-methyl-2-(3-oxo-butyl)-1-indanone
IUPAC
2-butyl-5-methoxy-4-methyl-2-(3-oxobutyl)-3H-inden-1-one

Names & synonyms

SCHEMBL2419312SXXIHWFIWWHKFX-UHFFFAOYSA-N2-butyl-5-methoxy-4-methyl-2-(3-oxo-butyl)-1-indanone

Database identifiers

PubChem CID
21990892

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
22

Related reactions

4 records
New reaction record

Linked notes

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