3-(4-Methylphenyl)-2,1-benzisoxazole-5-carbaldehyde

C₁₅H₁₁NO₂CAS 328547-38-2237.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₁NO₂
Molar mass: 237.26 g/mol
Exact mass: 237.0790 Da
logP: 3.62Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

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

328547-38-2

SMILES

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C=O

InChIKey

AKCMMYWXXNCXES-UHFFFAOYSA-N

InChI

InChI=1S/C15H11NO2/c1-10-2-5-12(6-3-10)15-13-8-11(9-17)4-7-14(13)16-18-15/h2-9H,1H3

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Work with 3-(4-Methylphenyl)-2,1-benzisoxazole-5-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

3-(4-Chlorophenyl)-2,1-benzisoxazole-5-carbaldehyde328272-55-571 % similar 4'-Methylbiphenyl-4-carbaldehyde36393-42-750 % similar 3-(4-Methylphenyl)benzaldehyde116470-54-347 % similar 4-Methylbenzaldehyde104-87-046 % similar 5-Chloro-3-phenyl-2,1-benzisoxazole719-64-240 % similar 4-(3-Methylphenyl)benzaldehyde400744-83-440 % similar 4-[Bis(4-methylphenyl)amino]benzaldehyde42906-19-440 % similar 2-Methylquinoline-6-carboxaldehyde108166-03-638 % similar

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

Same formula

Benzylphthalimide2142-01-0 Disperse orange 1182-28-0 Disperse red 982-38-2

Elsewhere

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