chempirical

3-(4-Methylphenyl)benzaldehyde

C14H12OCAS 116470-54-3196.25 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
116470-54-3
SMILES
CC1=CC=C(C=C1)C2=CC=CC(=C2)C=O
InChIKey
VEEXIHQTCQUWED-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O/c1-11-5-7-13(8-6-11)14-4-2-3-12(9-14)10-15/h2-10H,1H3

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Work with 3-(4-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]-3-carboxaldehyde1204-60-069 % similar 3′,4′-Dimethyl[1,1′-biphenyl]-3-carboxaldehyde343604-07-967 % similar 3-Methylbenzaldehyde620-23-563 % similar 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-763 % similar 3′,4′-Dimethoxy[1,1′-biphenyl]-3-carboxaldehyde676348-36-057 % similar 3-(3-Methoxyphenyl)benzaldehyde126485-58-356 % similar 3-(3-Pyridyl)benzaldehyde131231-24-853 % similar 3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-551 % similar

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

Same formula

2′-Methyl[1,1′-biphenyl]-4-carboxaldehyde108934-21-0 2-Methylbenzophenone131-58-8 4-Methylbenzophenone134-84-9 trans-Stilbene oxide1439-07-2 Fluorene-9-methanol24324-17-2 2-Phenylacetophenone451-40-1 4-Phenoxystyrene4973-29-9 3-Methylbenzophenone643-65-2

Elsewhere

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