3-Ethyl-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one

HCID 18445682
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Basic information

Standard SMILES
CCC1CC(=O)c2cc(OC)c(OC)cc21
InChIKey
GFLQRUJLOCTKPO-UHFFFAOYSA-N
Molecular formula
C13H16O3
Average molar mass
220.26 g/mol
Monoisotopic mass
220.10994437

Names & identifiers

Preferred name
3-Ethyl-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
IUPAC
3-ethyl-5,6-dimethoxy-2,3-dihydroinden-1-one

Names & synonyms

3-Ethyl-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one15547-73-6SCHEMBL3075172GFLQRUJLOCTKPO-UHFFFAOYSA-NTID088815,6-Dimethoxy-3-ethyl-indan-1-oneN-(3-{3-(3,5-Dimethoxy-phenyl)-7-[4-(4-methyl-piperazin-1-yl)-phenylamino]-2-oxo-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-ylmethyl} -phenyl)-acrylamide

Database identifiers

PubChem CID
18445682

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
35.5 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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