3-(3-Methoxyphenyl)benzaldehyde

C₁₄H₁₂O₂CAS 126485-58-3212.25 g/mol

Open in Covalent MOL file

Aldehyde Ether

Properties

Molecular formula: C₁₄H₁₂O₂
Molar mass: 212.25 g/mol
Exact mass: 212.0837 Da
logP: 3.17Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

126485-58-3

SMILES

COC1=CC=CC(=C1)C2=CC=CC(=C2)C=O

InChIKey

GLGWNAPAIMXRGT-UHFFFAOYSA-N

InChI

InChI=1S/C14H12O2/c1-16-14-7-3-6-13(9-14)12-5-2-4-11(8-12)10-15/h2-10H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-(3-Methoxyphenyl)benzaldehyde

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-Methoxybenzaldehyde591-31-180 % similar 3'-Methoxy-[1,1'-biphenyl]-4-carbaldehyde209863-09-279 % similar 3′,4′-Dimethoxy[1,1′-biphenyl]-3-carboxaldehyde676348-36-071 % similar 3,3'-Dimethoxybiphenyl6161-50-866 % similar 3-(4-Methoxyphenoxy)benzaldehyde62373-80-264 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-059 % similar 3-Methoxybiphenyl2113-56-659 % similar 3-(3-Methylphenyl)benzaldehyde216443-78-657 % 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 2-Hydroxy-5-methylbenzophenone1470-57-1 4'-Methylbiphenyl-3-carboxylic acid147404-69-1 p-Phenylphenyl acetate148-86-7

Elsewhere

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