chempirical

4-(3-Methylphenyl)benzaldehyde

C14H12OCAS 400744-83-4196.25 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C14H12O
Molar mass
196.25 g/mol
Exact mass
196.0888 Da
logP
3.47Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
400744-83-4
SMILES
CC1=CC(=CC=C1)C2=CC=C(C=C2)C=O
InChIKey
LUJIYJCRJKYCRK-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O/c1-11-3-2-4-14(9-11)13-7-5-12(10-15)6-8-13/h2-10H,1H3

Weigh it out

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

Work with 4-(3-Methylphenyl)benzaldehyde

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

[1,1′-Biphenyl]-4-carboxaldehyde3218-36-864 % similar 3-Methylbenzaldehyde620-23-563 % similar 3-Methylbiphenyl643-93-661 % similar 3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde400744-49-261 % similar 3'-Fluoro-[1,1'-biphenyl]-4-carbaldehyde400750-63-261 % similar 3,3′-Dimethylbiphenyl612-75-959 % similar 3'-Methoxy-[1,1'-biphenyl]-4-carbaldehyde209863-09-258 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-058 % similar

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

Same formula

2′-Methyl[1,1′-biphenyl]-4-carboxaldehyde108934-21-0 3-(4-Methylphenyl)benzaldehyde116470-54-3 2-Methylbenzophenone131-58-8 4-Methylbenzophenone134-84-9 trans-Stilbene oxide1439-07-2 3-(3-Methylphenyl)benzaldehyde216443-78-6 Fluorene-9-methanol24324-17-2 4'-Methylbiphenyl-4-carbaldehyde36393-42-7

Elsewhere

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