4-Benzyloxyindole-3-carboxaldehyde

C₁₆H₁₃NO₂CAS 7042-71-9251.28 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

7042-71-9

SMILES

C1=CC=C(C=C1)COC2=CC=CC3=C2C(=CN3)C=O

InChIKey

WURDDLFAUSUSLT-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

1 names

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

Work with 4-Benzyloxyindole-3-carboxaldehyde

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

2-(Benzyloxy)benzaldehyde5896-17-364 % similar 4-Methoxyindole-3-aldehyde90734-97-760 % similar 4-Benzyloxy-3-indoleacetonitrile1464-11-556 % similar 4-Chloroindole-3-carbaldehyde876-72-251 % similar 4-Benzyloxyindole20289-26-349 % similar 2-Benzyloxy-4,5-dimethoxybenzaldehyde14382-86-648 % similar 3,4-Bis(benzyloxy)benzaldehyde5447-02-946 % similar Indole-3-carbaldehyde487-89-845 % 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

Elsewhere

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