2,6-Dimethyl-4-hydroxybenzaldehyde

C₉H₁₀O₂CAS 70547-87-4150.18 g/mol

Open in Covalent MOL file

Aldehyde Phenol

Properties

Molecular formula: C₉H₁₀O₂
Molar mass: 150.18 g/mol
Exact mass: 150.0681 Da
logP: 1.82Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

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

70547-87-4

SMILES

CC1=CC(=CC(=C1C=O)C)O

InChIKey

XXTRGLCPRZQPHJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O2/c1-6-3-8(11)4-7(2)9(6)5-10/h3-5,11H,1-2H3

Weigh it out

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Work with 2,6-Dimethyl-4-hydroxybenzaldehyde

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

2,4,6-Trimethylbenzaldehyde487-68-362 % similar 4-Hydroxy-2-methylbenzaldehyde41438-18-057 % similar 2,4,6-Trihydroxybenzaldehyde487-70-756 % similar 2,6-Dimethylbenzaldehyde1123-56-452 % similar 2,6-Difluoro-4-hydroxybenzaldehyde532967-21-852 % similar 4-Hydroxy-2,6-dimethoxybenzaldehyde22080-96-252 % similar 2,6-Dimethylhydroquinone654-42-250 % similar 3,5-Dihydroxybenzaldehyde26153-38-848 % similar

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

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 2-Phenylethyl formate104-62-1 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1

Elsewhere

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