chempirical

6-Methoxy-1-indanone

C10H10O2CAS 13623-25-1162.19 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C10H10O2
Molar mass
162.19 g/mol
Exact mass
162.0681 Da
Melting point
109 °C
logP
1.82Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
13623-25-1
SMILES
COc1ccc2c(c1)C(=O)CC2
InChIKey
UJGDLLGKMWVCPT-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-12-8-4-2-7-3-5-10(11)9(7)6-8/h2,4,6H,3,5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 1H-Inden-1-one, 2,3-dihydro-6-methoxy-
  • 1-Indanone, 6-methoxy-
  • 2,3-Dihydro-6-methoxy-1H-inden-1-one
  • 6-Methoxyindane-1-one
  • NSC 338231
  • 6-Methoxy-2,3-dihydro-1H-inden-1-one
  • 2,3-Dihydro-6-methoxyinden-1-one

Work with 6-Methoxy-1-indanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

7-Methoxy-1-tetralone6836-19-782 % similar 5-Methoxy-1-indanone5111-70-676 % similar 6-Methoxy-1-tetralone1078-19-963 % similar 5,6-Dimethoxy-1-indanone2107-69-961 % similar 6-Methoxy-2-tetralone2472-22-256 % similar 7-Methoxy-2-tetralone4133-34-056 % similar Loureirin A119425-89-756 % similar 6-Hydroxyindan-1-one62803-47-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

γ-Phenyl-γ-butyrolactone1008-76-0 1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 2-Methoxycinnamaldehyde1504-74-1 4-Methylcinnamic acid1866-39-3

Elsewhere

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