3-Hydroxy-4-methylbenzaldehyde

C8H8O2CAS 57295-30-4136.15 g/mol

Open in Covalent MOL file
OHO
AldehydePhenol

Properties

Molecular formula
C8H8O2
Molar mass
136.15 g/mol
Exact mass
136.0524 Da
logP
1.51Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

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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