4-Methoxyindole-3-aldehyde

C10H9NO2CAS 90734-97-7175.19 g/mol

Open in Covalent MOL file
OHNO
AldehydeEther

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
logP
1.99Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
90734-97-7
SMILES
COC1=CC=CC2=C1C(=CN2)C=O
InChIKey
GDVCEQRAPMIJBG-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-13-9-4-2-3-8-10(9)7(6-12)5-11-8/h2-6,11H,1H3

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Names and synonyms

1 names
  • 4-Methoxyindole-3-carboxaldehyde

Work with 4-Methoxyindole-3-aldehyde

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

4-Benzyloxyindole-3-carboxaldehyde7042-71-960 % similar 4-Chloroindole-3-carbaldehyde876-72-258 % similar 4-Bromoindole-3-carboxaldehyde98600-34-158 % similar 2-Methoxybenzaldehyde135-02-453 % similar 2,3-Dimethoxybenzaldehyde86-51-153 % similar 6-Methoxy-1H-indole-3-carbaldehyde70555-46-352 % similar 4-Methoxy-1H-indole-3-carboxylic acid203937-50-252 % similar 2-Chloro-3-methoxybenzaldehyde54881-49-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl indole-5-carboxylate1011-65-0 5-Methylindole-2-carboxylic acid10241-97-1 Methyl 4-cyano-2-methylbenzoate103261-67-2 5-Methoxyindole-3-carbaldehyde10601-19-1 Methyl 1H-indole-2-carboxylate1202-04-6 1-Methyl-1H-indole-2-carboxylic acid16136-58-6 2,3,4,5-Tetrahydro-1H-1-benzazepine-2,5-dione16511-38-9 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9

Elsewhere

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