chempirical

1-Methoxyindole

C9H9NOCAS 54698-11-2147.18 g/mol

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Properties

Molecular formula
C9H9NO
Molar mass
147.18 g/mol
Exact mass
147.0684 Da
logP
1.70Crippen estimate
Polar surface area
14.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
54698-11-2
SMILES
CON1C=CC2=CC=CC=C21
InChIKey
GTVWPXDPNQJYNV-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3

Weigh it out

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

Work with 1-Methoxyindole

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

1-Methylindole603-76-948 % similar 1-(1H-Indol-1-yl)ethanone576-15-840 % similar 1-Benzylindole3377-71-738 % similar 1-Boc-indole75400-67-838 % similar 1-(Phenylsulfonyl)indole40899-71-635 % similar 1-Methyl-2(1H)-quinolinone606-43-934 % similar 1H-Indole-1-acetic acid24297-59-433 % similar 1,2-Dimethylindole875-79-631 % similar

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

Same formula

5-Methoxyindole1006-94-6 (4-Methoxyphenyl)acetonitrile104-47-2 Indole-4-methanol1074-85-7 1H-Indole-7-methanol1074-87-9 Indole-5-methanol1075-25-8 6-Hydroxymethylindole1075-26-9 3,4-Dihydroisoquinolin-1(2H)-one1196-38-9 2-Methyl-1H-indol-5-ol13314-85-7

Elsewhere

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