5,6-Dimethoxy-1-indanone

C₁₁H₁₂O₃CAS 2107-69-9192.21 g/mol

Open in Covalent MOL file

Ether Ketone

Properties

Molecular formula: C₁₁H₁₂O₃
Molar mass: 192.21 g/mol
Exact mass: 192.0786 Da
Melting point: 120 °C
Boiling point: 138–139 °C (at 2 Torr)
logP: 1.83Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed71.4% of notifiers
H312 Harmful in contact with skin71.4% of notifiers
H315 Causes skin irritation28.6% of notifiers
H319 Causes serious eye irritation28.6% of notifiers
H332 Harmful if inhaled71.4% of notifiers
H335 May cause respiratory irritation28.6% of notifiers

Aggregated from 7 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2107-69-9

SMILES

COc1cc2c(cc1OC)C(=O)CC2

InChIKey

IHMQOBPGHZFGLC-UHFFFAOYSA-N

InChI

InChI=1S/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

6 names

1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-
1-Indanone, 5,6-dimethoxy-
2,3-Dihydro-5,6-dimethoxy-1H-inden-1-one
NSC 401450
5,6-Dimethoxy-2,3-dihydro-1H-inden-1-one
2,3-Dihydro-5,6-dimethoxyinden-1-one

Work with 5,6-Dimethoxy-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

3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-281 % similar 6-Methoxy-1-indanone13623-25-161 % similar 5-Methoxy-1-indanone5111-70-661 % similar 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-753 % similar 5,6-Difluoro-1-indanone161712-77-251 % similar 6-Methoxy-1-tetralone1078-19-950 % similar 7-Methoxy-1-tetralone6836-19-750 % similar 2-Methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one6500-65-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dehydrozingerone1080-12-2 Helional1205-17-0 Ethyl 3-phenylglycidate121-39-1 (3-Methoxyphenyl)methyl 2-propenoate144261-46-1 δ-Oxobenzenepentanoic acid1501-05-9 Methyl 2-phenylacetoacetate16648-44-5 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-1 1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one22776-09-6

Elsewhere

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