N-Boc-5-methoxyindole

C₁₄H₁₇NO₃CAS 99275-47-5247.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₇NO₃
Molar mass: 247.29 g/mol
Exact mass: 247.1208 Da
logP: 3.43Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number

99275-47-5

SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)OC

InChIKey

LPSLGTZFBDZNEK-UHFFFAOYSA-N

InChI

InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-8-7-10-9-11(17-4)5-6-12(10)15/h5-9H,1-4H3

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Names and synonyms

1 names

1-Boc-5-methoxyindole

Work with N-Boc-5-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

1,1-Dimethylethyl 5-amino-1H-indole-1-carboxylate166104-20-767 % similar N-Boc-5-hydroxyindole434958-85-767 % similar 1-Boc-indole75400-67-863 % similar 1-(tert-Butoxycarbonyl)-5-methoxy-1H-indol-2-ylboronic acid290331-71-458 % similar 1-Boc-6-aminoindole219508-62-056 % similar N-Boc-2-pyrroleboronic acid135884-31-041 % similar 1,1-Dimethylethyl 5-amino-1H-indazole-1-carboxylate129488-10-440 % similar 1-(tert-Butoxycarbonyl)indole-2-boronic Acid (contains varying amounts of Anhydride)213318-44-640 % similar

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

Same formula

Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate1027-35-6 4-Formylpiperidine-1-carboxylic acid benzyl ester138163-08-3 N-Ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline16357-59-8 4-N-Cbz-cyclohexanone16801-63-1 (+)-cis-2-Benzamidocyclohexanecarboxylic acid26685-82-5 (-)-cis-2-Benzamidocyclohexanecarboxylic acid26693-55-0

Elsewhere

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