3'-Methoxy-[1,1'-biphenyl]-4-carbaldehyde

C14H12O2CAS 209863-09-2212.25 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 the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
209863-09-2
SMILES
COC1=CC=CC(=C1)C2=CC=C(C=C2)C=O
InChIKey
LHVLDSOAJZLBMM-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O2/c1-16-14-4-2-3-13(9-14)12-7-5-11(10-15)6-8-12/h2-10H,1H3

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Names and synonyms

1 names
  • 4-(3-Methoxyphenyl)benzaldehyde

Work with 3'-Methoxy-[1,1'-biphenyl]-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

4'-Methoxy-(1,1'-biphenyl)-4-carboxaldehyde52988-34-869 % similar 3-Methoxybenzaldehyde591-31-167 % similar 3',4'-Dimethoxybiphenyl-4-carbaldehyde640769-65-966 % similar 3,3'-Dimethoxybiphenyl6161-50-863 % similar 3-Methoxybiphenyl2113-56-663 % similar 3′,4′-Dimethoxy[1,1′-biphenyl]-3-carboxaldehyde676348-36-061 % similar 4-Anisaldehyde123-11-559 % similar 4-(3-Methylphenyl)benzaldehyde400744-83-458 % 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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