2′-Methyl[1,1′-biphenyl]-4-carboxaldehyde

C₁₄H₁₂OCAS 108934-21-0196.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₂O
Molar mass: 196.25 g/mol
Exact mass: 196.0888 Da
logP: 3.47Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H411 Toxic to aquatic life with long lasting effects95% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, P501

Identifiers

CAS number

108934-21-0

SMILES

Cc1ccccc1-c1ccc(C=O)cc1

InChIKey

HERVRULEZPWOIG-UHFFFAOYSA-N

InChI

InChI=1S/C14H12O/c1-11-4-2-3-5-14(11)13-8-6-12(10-15)7-9-13/h2-10H,1H3

Weigh it out

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Names and synonyms

6 names

[1,1′-Biphenyl]-4-carboxaldehyde, 2′-methyl-
2′-Methyl-1,1′-biphenyl-4-carboxaldehyde
4-Formyl-2′-methylbiphenyl
2′-Methyl-4-biphenylcarboxaldehyde
2′-Methylbiphenyl-4-carbaldehyde
2′-Methyl-[1,1′-biphenyl]-4-carbaldehyde

Work with 2′-Methyl[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

2'-Fluorobiphenyl-4-carbaldehyde57592-42-458 % similar 4-(2-Methoxyphenyl)benzaldehyde421553-62-057 % similar 2-Methylbiphenyl643-58-357 % similar 2-Methylbiphenyl648-53-357 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-855 % similar 4-[2,4,5-Tris(4-formylphenyl)phenyl]benzaldehyde883835-33-455 % similar 4-(3,4-Dimethylphenyl)benzaldehyde343604-05-755 % similar 2'-Trifluoromethyl-biphenyl-4-carbaldehyde198205-95-753 % similar

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

Same formula

3-(4-Methylphenyl)benzaldehyde116470-54-3 2-Methylbenzophenone131-58-8 4-Methylbenzophenone134-84-9 trans-Stilbene oxide1439-07-2 3-(3-Methylphenyl)benzaldehyde216443-78-6 Fluorene-9-methanol24324-17-2 4'-Methylbiphenyl-4-carbaldehyde36393-42-7 4-(3-Methylphenyl)benzaldehyde400744-83-4

Elsewhere

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