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

HCID 21990930
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCC1(CCC(=O)CC)Cc2c(ccc(OC)c2C)C1=O
InChIKey
SNBYHPWBSCAXCL-UHFFFAOYSA-N
Molecular formula
C20H28O3
Average molar mass
316.4 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL2419168SNBYHPWBSCAXCL-UHFFFAOYSA-N2-butyl-5-methoxy-4-methyl-2-(3-oxopentyl)-1-indanone

Database identifiers

PubChem CID
21990930

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
23

Related reactions

3 records
New reaction record

Compound notes

Loading…