5,6-Dimethoxyindole

C₁₀H₁₁NO₂CAS 14430-23-0177.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₁NO₂
Molar mass: 177.20 g/mol
Exact mass: 177.0790 Da
Melting point: 149–152 °C
logP: 2.19Crippen estimate
Polar surface area: 34.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

14430-23-0

SMILES

COc1cc2cc[nH]c2cc1OC

InChIKey

QODBZRNBPUPLEZ-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO2/c1-12-9-5-7-3-4-11-8(7)6-10(9)13-2/h3-6,11H,1-2H3

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Names and synonyms

4 names

1H-Indole, 5,6-dimethoxy-
Indole, 5,6-dimethoxy-
5,6-Dimethoxy-1H-indole
5,6-Methoxyindole

Work with 5,6-Dimethoxyindole

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-Fluoro-5-methoxy-1H-indole63762-83-471 % similar 5-Methoxyindole1006-94-658 % similar 6-Methoxyindole3189-13-758 % similar 6,7-Dimethoxy-4-hydroxyquinoline13425-93-956 % similar 7-Methoxyindole3189-22-848 % similar 4-Methoxy-1H-indole4837-90-548 % similar 6-Bromo-4-methoxy-1H-indole393553-57-647 % similar 5,6-Dimethoxy-2-phenylindole62663-26-747 % similar

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

Same formula

Acetoacetanilide102-01-2 (R)-4-Benzyl-2-oxazolidinone102029-44-7 (3R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid103733-65-9 3,5-Dimethoxyphenylacetonitrile13388-75-5 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indol-2-one139122-19-3 (4S,5R)-(-)-4-Methyl-5-phenyl-2-oxazolidinone16251-45-9 2,5-Dimethoxyphenylacetonitrile18086-24-3 7-Methoxy-3,4-dihydro-2H-isoquinolin-1-one22246-04-4

Elsewhere

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