4-Benzyloxyindole-3-carboxaldehyde

C16H13NO2CAS 7042-71-9251.28 g/mol

Open in Covalent MOL file
ONHO
AldehydeEther

Properties

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

Hazards

Warning
Irritant (GHS07)

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
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

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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-Bromoindole-3-carboxaldehyde98600-34-151 % similar 4-Benzyloxyindole20289-26-349 % similar 2-Benzyloxy-4,5-dimethoxybenzaldehyde14382-86-648 % similar 3,4-Bis(benzyloxy)benzaldehyde5447-02-946 % 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 6-(Benzyloxy)-1H-indole-3-carbaldehyde92855-64-6 7-Benzyloxyindole-3-carbaldehyde92855-65-7

Elsewhere

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