5-Methoxy-2-methyl-2-(3-oxo-butyl)-1-indanone

HCID 21990908
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Basic information

Standard SMILES
COc1ccc2c(c1)CC(C)(CCC(C)=O)C2=O
InChIKey
PIZOJNZEFVFZNN-UHFFFAOYSA-N
Molecular formula
C15H18O3
Average molar mass
246.3 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL2421113PIZOJNZEFVFZNN-UHFFFAOYSA-N5-methoxy-2-methyl-2-(3-oxo-butyl)-1-indanone

Database identifiers

PubChem CID
21990908

Properties

Computed structural properties

XLogP
2
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18

Related reactions

3 records
New reaction record

Compound notes

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