3′,4′-Dimethyl[1,1′-biphenyl]-3-carboxaldehyde

C₁₅H₁₄OCAS 343604-07-9210.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₄O
Molar mass: 210.28 g/mol
Exact mass: 210.1045 Da
logP: 3.78Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

343604-07-9

SMILES

Cc1ccc(-c2cccc(C=O)c2)cc1C

InChIKey

XBVSMPXCQQMBOG-UHFFFAOYSA-N

InChI

InChI=1S/C15H14O/c1-11-6-7-15(8-12(11)2)14-5-3-4-13(9-14)10-16/h3-10H,1-2H3

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Names and synonyms

1 names

[1,1′-Biphenyl]-3-carboxaldehyde, 3′,4′-dimethyl-

Work with 3′,4′-Dimethyl[1,1′-biphenyl]-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

3-(4-Methylphenyl)benzaldehyde116470-54-367 % similar 3,4-Dimethylbenzaldehyde5973-71-763 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-061 % similar 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-757 % similar 3′,4′-Dimethoxy[1,1′-biphenyl]-3-carboxaldehyde676348-36-055 % similar 3-(3-Methoxyphenyl)benzaldehyde126485-58-354 % similar Isophthalaldehyde626-19-752 % similar 3-Methylbenzaldehyde620-23-552 % similar

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

Same formula

Dibenzyl ketone102-04-5 Dihydrochalcone1083-30-3 2,4-Dimethylbenzophenone1140-14-3 4-Methoxystilbene1142-15-0 Dibenzosuberol1210-34-0 3,4'-Dimethylbenzophenone13152-94-8 4-Ethylbenzophenone18220-90-1 9,9-Dimethyl-9H-xanthene19814-75-6

Elsewhere

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