4-Bromo-2-butyl-5-methoxy-1-indanone

HCID 21990902
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Basic information

Standard SMILES
CCCCC1Cc2c(ccc(OC)c2Br)C1=O
InChIKey
AOIHFKPAMDRTQZ-UHFFFAOYSA-N
Molecular formula
C14H17BrO2
Average molar mass
297.19 g/mol

Names & identifiers

Preferred name
4-Bromo-2-butyl-5-methoxy-1-indanone
IUPAC
4-bromo-2-butyl-5-methoxy-2,3-dihydroinden-1-one

Names & synonyms

SCHEMBL2420985AOIHFKPAMDRTQZ-UHFFFAOYSA-N4-bromo-2-butyl-5-methoxy-1-indanone

Database identifiers

PubChem CID
21990902

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
17

Related reactions

3 records
New reaction record

Compound notes

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4-Bromo-2-butyl-5-methoxy-1-indanone (HCID 21990902)｜Huagongshe