3-Hydroxy-4-methylbenzaldehyde

C₈H₈O₂CAS 57295-30-4136.15 g/mol

Open in Covalent MOL file

Aldehyde Phenol

Properties

Molecular formula: C₈H₈O₂
Molar mass: 136.15 g/mol
Exact mass: 136.0524 Da
logP: 1.51Crippen 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

57295-30-4

SMILES

CC1=C(C=C(C=C1)C=O)O

InChIKey

DHVJHJQBQKKPNB-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O2/c1-6-2-3-7(5-9)4-8(6)10/h2-5,10H,1H3

Weigh it out

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Names and synonyms

1 names

3-Hydroxy-4-methyl-benzaldehyde

Work with 3-Hydroxy-4-methylbenzaldehyde

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-Hydroxy-3-methylbenzaldehyde15174-69-372 % similar Protocatechuic aldehyde139-85-564 % similar 3,4-Dimethylbenzaldehyde5973-71-764 % similar 3-Hydroxy-4-iodobenzaldehyde135242-71-661 % similar 3-Fluoro-4-methylbenzaldehyde177756-62-656 % similar 4-Bromo-3-hydroxybenzaldehyde20035-32-956 % similar 3-Chloro-4-methylbenzaldehyde3411-03-856 % similar 3-Bromo-4-methyl benzaldehyde36276-24-156 % similar

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

Same formula

Phenylacetic acid103-82-2 Benzyl formate104-57-4 2'-Hydroxyacetophenone104809-67-8 o-Toluic acid118-90-1 2′-Hydroxyacetophenone118-93-4 3-Hydroxyacetophenone121-71-1 Phenyl acetate122-79-2 4-Anisaldehyde123-11-5

Elsewhere

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