4-Methoxy-1H-indole

C9H9NOCAS 4837-90-5147.18 g/mol

Open in Covalent MOL file
ONH
Ether

Properties

Molecular formula
C9H9NO
Molar mass
147.18 g/mol
Exact mass
147.0684 Da
logP
2.18Crippen estimate
Polar surface area
25.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
4837-90-5
SMILES
COC1=CC=CC2=C1C=CN2
InChIKey
LUNOXNMCFPFPMO-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 4-Methoxyindole

Work with 4-Methoxy-1H-indole

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-Acetoxyindole5585-96-656 % similar 6-Bromo-4-methoxy-1H-indole393553-57-654 % similar 4-Methoxy-1H-indazole351210-06-553 % similar 4-Benzyloxyindole20289-26-353 % similar 4-Methylindole16096-32-552 % similar 4-Aminoindole5192-23-452 % similar 7-Methoxyindole3189-22-852 % similar 4-Methoxy-1H-pyrrolo(2,3-b)pyridine122379-63-949 % 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

PubChem CAS Common Chemistry NIST WebBook