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

C₁₅H₁₄O₃CAS 676348-36-0242.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₄O₃
Molar mass: 242.27 g/mol
Exact mass: 242.0943 Da
logP: 3.18Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

676348-36-0

SMILES

COc1ccc(-c2cccc(C=O)c2)cc1OC

InChIKey

PEIHWSWXATULIX-UHFFFAOYSA-N

InChI

InChI=1S/C15H14O3/c1-17-14-7-6-13(9-15(14)18-2)12-5-3-4-11(8-12)10-16/h3-10H,1-2H3

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Names and synonyms

4 names

[1,1′-Biphenyl]-3-carboxaldehyde, 3′,4′-dimethoxy-
3-(3,4-Dimethoxyphenyl)benzaldehyde
3′,4′-Dimethoxy-[1,1′-biphenyl]-3-carboxaldehyde
3′,4′-Dimethoxybiphenyl-3-carbaldehyde

Work with 3′,4′-Dimethoxy[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-(3-Methoxyphenyl)benzaldehyde126485-58-371 % similar 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-769 % similar 3-(2-Methoxyphenyl)benzaldehyde122801-57-466 % similar 3-(4-Methylphenyl)benzaldehyde116470-54-357 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-056 % similar 3′,4′-Dimethyl[1,1′-biphenyl]-3-carboxaldehyde343604-07-955 % similar 3-Chloro-4-methoxybenzaldehyde4903-09-755 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-453 % similar

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

Same formula

Mexenone1641-17-4 2-(Benzyloxy)phenylacetic acid22047-88-7 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-1 Fenoprofen31879-05-7 4-Methoxyresveratrol33626-08-3 Bis(phenylmethyl) carbonate3459-92-5 Pinostilbene42438-89-1 β-Lapachone4707-32-8

Elsewhere

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