6-(Benzyloxy)-1H-indole-3-carbaldehyde

C₁₆H₁₃NO₂CAS 92855-64-6251.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₃NO₂
Molar mass: 251.28 g/mol
Exact mass: 251.0946 Da
logP: 3.56Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

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

92855-64-6

SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CN3)C=O

InChIKey

UUKFCVCTRWNXBI-UHFFFAOYSA-N

InChI

InChI=1S/C16H13NO2/c18-10-13-9-17-16-8-14(6-7-15(13)16)19-11-12-4-2-1-3-5-12/h1-10,17H,11H2

Weigh it out

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Names and synonyms

1 names

6-Benzyloxyindole-3-carboxaldehyde

Work with 6-(Benzyloxy)-1H-indole-3-carbaldehyde

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

6-Methoxy-1H-indole-3-carbaldehyde70555-46-359 % similar 2-Methyl 4-benzyloxybenzaldehyde101093-56-557 % similar 4-Benzyloxy-2-methoxybenzaldehyde58026-14-554 % similar 5-Ethoxy-1H-indole-3-carbaldehyde169789-47-353 % similar 4-Benzyloxy-2-formylphenylboronic acid139962-97-353 % similar Indole-3-carbaldehyde487-89-851 % similar 4-(Benzyloxy)benzaldehyde4397-53-951 % similar 3-Benzyloxybenzaldehyde1700-37-451 % similar

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

Same formula

1-(Phenylmethyl)-1H-indole-3-carboxylic acid27018-76-4 5-(Phenylmethoxy)-1H-indole-3-carboxaldehyde6953-22-6 4-Benzyloxyindole-3-carboxaldehyde7042-71-9 7-Benzyloxyindole-3-carbaldehyde92855-65-7

Elsewhere

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