4-Methoxy-2,3-dihydro-1H-inden-1-one

C10H10O2CAS 13336-31-7162.19 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C10H10O2
Molar mass
162.19 g/mol
Exact mass
162.0681 Da
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 the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
13336-31-7
SMILES
COC1=CC=CC2=C1CCC2=O
InChIKey
BTYSYELHQDGJAB-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-4H,5-6H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • 4-Methoxy-1-indanone

Work with 4-Methoxy-2,3-dihydro-1H-inden-1-one

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

5-Methoxy-1-tetralone33892-75-082 % similar 4-Methyl-1-indanone24644-78-858 % similar 4-Chloroindan-1-one15115-59-056 % similar 4-Bromo-1-indanone15115-60-356 % similar 3,4-Dihydro-5-methoxy-2(1H)-naphthalenone32940-15-155 % similar 4-Hydroxyindan-1-one40731-98-454 % similar 4-Fluoro-1-indanone699-99-054 % similar 5,6-Dimethoxy-1-indanone2107-69-953 % 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 6-Methoxy-1-indanone13623-25-1 3-Methylcinnamic acid14473-89-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook