4'-Methoxy-(1,1'-biphenyl)-4-carboxaldehyde

C14H12O2CAS 52988-34-8212.25 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C14H12O2
Molar mass
212.25 g/mol
Exact mass
212.0837 Da
logP
3.17Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
52988-34-8
SMILES
COC1=CC=C(C=C1)C2=CC=C(C=C2)C=O
InChIKey
JTTIGLYPLMYHAT-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O2/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-10H,1H3

Weigh it out

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Names and synonyms

1 names
  • 4'-Methoxybiphenyl-4-carbaldehyde

Work with 4'-Methoxy-(1,1'-biphenyl)-4-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

4-Anisaldehyde123-11-588 % similar 4-(Bis(4-methoxyphenyl)amino)benzaldehyde89115-20-870 % similar 3'-Methoxy-[1,1'-biphenyl]-4-carbaldehyde209863-09-269 % similar 4,4'-Dimethoxybiphenyl2132-80-163 % similar 3',4'-Dimethoxybiphenyl-4-carbaldehyde640769-65-963 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-863 % similar 3,5-Dimethoxybenzaldehyde7311-34-461 % similar 6-Methoxy-2-naphthaldehyde3453-33-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diphenylacetic acid117-34-0 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-7 Benzoin (organic compound)119-53-9 Benzyl benzoate120-51-4 3-(2-Methoxyphenyl)benzaldehyde122801-57-4 3-(3-Methoxyphenyl)benzaldehyde126485-58-3 2-Hydroxy-5-methylbenzophenone1470-57-1 4'-Methylbiphenyl-3-carboxylic acid147404-69-1

Elsewhere

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