5-Ethoxy-1H-indole

C10H11NOCAS 10501-17-4161.20 g/mol

Open in Covalent MOL file
ONH
Ether

Properties

Molecular formula
C10H11NO
Molar mass
161.20 g/mol
Exact mass
161.0841 Da
logP
2.57Crippen estimate
Polar surface area
25.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
10501-17-4
SMILES
CCOC1=CC2=C(C=C1)NC=C2
InChIKey
IEKPDICCMASELW-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO/c1-2-12-9-3-4-10-8(7-9)5-6-11-10/h3-7,11H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • 5-Ethoxyindole

Work with 5-Ethoxy-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

5-Methoxyindole1006-94-661 % similar 5-Benzyloxyindole1215-59-459 % similar 2-Ethoxynaphthalene93-18-553 % similar Ethyl indole-5-carboxylate32996-16-051 % similar 5-Methylindole614-96-048 % similar 1,4-Diethoxybenzene122-95-248 % similar 5-Ethoxy-1H-indole-3-carbaldehyde169789-47-348 % similar 1,3-Diethoxybenzene2049-73-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methoxy-2-methylindole1076-74-0 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one1127-74-8 4-Phenyl-2-pyrrolidinone1198-97-6 N-Benzylacrylamide13304-62-6 3-(Methylphenylamino)-2-propenal14189-82-3 1-Acetylindoline16078-30-1 2,5,6-Trimethylbenzoxazole19219-98-8 4-Methoxybenzenepropanenitrile22442-48-4

Elsewhere

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