4-Hydroxy-2-methylbenzaldehyde

C8H8O2CAS 41438-18-0136.15 g/mol

Open in Covalent MOL file
HOO
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

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
41438-18-0
SMILES
CC1=C(C=CC(=C1)O)C=O
InChIKey
JDWWIEFMFPWBST-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O2/c1-6-4-8(10)3-2-7(6)5-9/h2-5,10H,1H3

Weigh it out

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

Work with 4-Hydroxy-2-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

2,4-Dihydroxybenzaldehyde95-01-262 % similar 4-Bromo-2-methylbenzaldehyde24078-12-461 % similar 4-Hydroxy-2-methoxybenzaldehyde18278-34-761 % similar 2,5-Dihydroxybenzaldehyde1194-98-560 % similar 2,4-Dimethylbenzaldehyde15764-16-660 % similar 2,6-Dimethyl-4-hydroxybenzaldehyde70547-87-457 % similar 2-Bromo-4-hydroxybenzaldehyde22532-60-156 % similar 2-Fluoro-4-hydroxybenzaldehyde348-27-656 % 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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