1-Methyl-2-phenyl-1H-indole-3-carboxaldehyde

C16H13NOCAS 1757-72-8235.29 g/mol

Open in Covalent MOL file
NO
Aldehyde

Properties

Molecular formula
C16H13NO
Molar mass
235.29 g/mol
Exact mass
235.0997 Da
Melting point
128 °C
logP
3.66Crippen estimate
Polar surface area
22.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1757-72-8
SMILES
Cn1c(-c2ccccc2)c(C=O)c2ccccc21
InChIKey
YJOWMBICANYBLV-UHFFFAOYSA-N
InChI
InChI=1S/C16H13NO/c1-17-15-10-6-5-9-13(15)14(11-18)16(17)12-7-3-2-4-8-12/h2-11H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-
  • Indole-3-carboxaldehyde, 1-methyl-2-phenyl-
  • 1-Methyl-2-phenylindole-3-carboxaldehyde
  • 3-Formyl-1-methyl-2-phenylindole
  • 1-Methyl-2-phenyl-3-formylindole
  • 1-Methyl-2-phenylindole-3-carbaldehyde
  • 1-Methyl-2-phenyl-1H-indole-3-carbaldehyde

Work with 1-Methyl-2-phenyl-1H-indole-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

1,2-Dimethyl-1H-indole-3-carboxaldehyde38292-40-964 % similar N-Methylcarbazole1484-12-445 % similar N-Methylacridone719-54-043 % similar Basic orange 224657-00-543 % similar 9,10-Anthracenedicarboxaldehyde7044-91-942 % similar 1-Methylindole-3-carboxaldehyde19012-03-441 % similar 2-Phenylindole-3-carboxaldehyde25365-71-340 % similar 1-Methyl-2-formylbenzimidazole3012-80-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Benzyl-1H-indole-3-carbaldehyde10511-51-0 5-Methyl-3,4-diphenyl-isoxazole37928-17-9 3-Benzoyl-α-methylbenzeneacetonitrile42872-30-0

Elsewhere

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