chempirical

3',4'-Dimethoxybiphenyl-4-carbaldehyde

C15H14O3CAS 640769-65-9242.27 g/mol

Open in Covalent MOL file
OOO
AldehydeEther

Properties

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

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
640769-65-9
SMILES
COC1=C(C=C(C=C1)C2=CC=C(C=C2)C=O)OC
InChIKey
GLQPTZAAUROJMO-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O3/c1-17-14-8-7-13(9-15(14)18-2)12-5-3-11(10-16)4-6-12/h3-10H,1-2H3

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Work with 3',4'-Dimethoxybiphenyl-4-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′-Dimethoxy[1,1′-biphenyl]-3-carboxaldehyde676348-36-074 % similar Veratraldehyde120-14-973 % similar 3'-Methoxy-[1,1'-biphenyl]-4-carbaldehyde209863-09-266 % similar 4'-Methoxy-(1,1'-biphenyl)-4-carboxaldehyde52988-34-863 % similar 3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-dicarbaldehyde27343-98-261 % similar 4-(2-Methoxyphenyl)benzaldehyde421553-62-058 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-457 % similar 3-Iodo-4-methoxybenzaldehyde2314-37-656 % 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 4'-Benzyloxy-2'-hydroxyacetophenone29682-12-0 1-(5-(Benzyloxy)-2-hydroxyphenyl)ethanone30992-63-3 Fenoprofen31879-05-7 Methyl 4-benzyloxybenzoate32122-11-5 4-Methoxyresveratrol33626-08-3

Elsewhere

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