5-Methoxy-1-indanone

C10H10O2CAS 5111-70-6162.19 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
110 °C
Boiling point
145–150 °C (at 0.2 Torr)
logP
1.82Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
5111-70-6
SMILES
COc1ccc2c(c1)CCC2=O
InChIKey
QOPRWBRNMPANKN-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h3-4,6H,2,5H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • 1H-Inden-1-one, 2,3-dihydro-5-methoxy-
  • 1-Indanone, 5-methoxy-
  • 2,3-Dihydro-5-methoxy-1H-inden-1-one
  • 5-Methoxyhydrindone
  • 5-Methoxyindanone
  • NSC 82964
  • 5-Methoxy-2,3-dihydro-1H-inden-1-one
  • 2,3-Dihydro-5-methoxyinden-1-one
  • 5-Methoxyindan-1-one

Work with 5-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

6-Methoxy-1-tetralone1078-19-982 % similar 2-Methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one6500-65-880 % similar 7-Methoxy-1-tetralone6836-19-763 % similar 5,6-Dimethoxy-1-indanone2107-69-961 % similar 5-Methyl-1-indanone4593-38-858 % similar 6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one2472-22-256 % similar 7-Methoxy-2-tetralone4133-34-056 % similar 6-Methoxy-4-chromanone5802-17-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Gamma-Phenyl-gamma-butyrolactone1008-76-0 1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-7 6-Methoxy-1-indanone13623-25-1

Elsewhere

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