6-Methoxy-1-indanone

C₁₀H₁₀O₂CAS 13623-25-1162.19 g/mol

Open in Covalent MOL file

Ether Ketone

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation25% of notifiers
H400 Very toxic to aquatic life25% of notifiers
H410 Very toxic to aquatic life with long lasting effects25% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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 2-Methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one6500-65-862 % similar 5,6-Dimethoxy-1-indanone2107-69-961 % similar 7-Methoxy-3,4-dihydro-2H-isoquinolin-1-one22246-04-459 % similar 6-Methoxy-4-chromanone5802-17-559 % similar 6-Methyl-1-indanone24623-20-958 % 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 3-Methylcinnamic acid14473-89-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook