Ethyl 5-(phenylmethoxy)-1H-indole-2-carboxylate

C₁₈H₁₇NO₃CAS 37033-95-7295.34 g/mol

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Properties

Molecular formula: C₁₈H₁₇NO₃
Molar mass: 295.34 g/mol
Exact mass: 295.1208 Da
Melting point: 162–164 °C
logP: 3.92Crippen estimate
Polar surface area: 51.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

37033-95-7

SMILES

CCOC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1

InChIKey

DCIFXYFKVKDOLL-UHFFFAOYSA-N

InChI

InChI=1S/C18H17NO3/c1-2-21-18(20)17-11-14-10-15(8-9-16(14)19-17)22-12-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3

Weigh it out

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Names and synonyms

8 names

1H-Indole-2-carboxylic acid, 5-(phenylmethoxy)-, ethyl ester
Indole-2-carboxylic acid, 5-(benzyloxy)-, ethyl ester
2-Carbethoxy-5-(benzyloxy)indole
Ethyl 5-(benzyloxy)indole-2-carboxylate
5-(Benzyloxy)-2-carbethoxyindole
Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate
5-(Benzyloxy)indole-2-carboxylic acid ethyl ester
NSC 30931

Work with Ethyl 5-(phenylmethoxy)-1H-indole-2-carboxylate

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

Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-967 % similar 5-(Phenylmethoxy)-1H-indole-2-carboxylic acid6640-09-165 % similar Ethyl 1H-indole-2-carboxylate3770-50-164 % similar Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate175203-82-462 % similar Ethyl 5-methyl-1H-indole-2-carboxylate16382-15-360 % similar Ethyl 4-(phenylmethoxy)benzoate56441-55-559 % similar 2-(Ethoxycarbonyl)-5-bromo-indole16732-70-059 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-159 % similar

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

Same formula

trans-1-Benzoyl-4-phenyl-L-proline120851-71-0 Isoxadifen-ethyl163520-33-0 Indobufen63610-08-2

Elsewhere

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