2-(2-Oxoethyl)-5-methoxy-1-tetralone

HCID 19036372
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Basic information

Standard SMILES
COc1cccc2c1CCC(CC=O)C2=O
InChIKey
WWAWGQYTYZMULF-UHFFFAOYSA-N
Molecular formula
C13H14O3
Average molar mass
218.25 g/mol
Monoisotopic mass
218.0942943

Names & identifiers

Preferred name
2-(2-Oxoethyl)-5-methoxy-1-tetralone
IUPAC
2-(5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetaldehyde

Names & synonyms

SCHEMBL8875326WWAWGQYTYZMULF-UHFFFAOYSA-N2-(2-oxoethyl)-5-methoxy-1-tetralone

Database identifiers

PubChem CID
19036372

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
16

Related reactions

2 records
New reaction record

Linked notes

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