chempirical

3-Chloro-6-hydroxy-2,4-dimethylbenzaldehyde

C9H9ClO2CAS 81322-67-0184.62 g/mol

Open in Covalent MOL file
OHOCl
AldehydeAryl halidePhenol

Properties

Molecular formula
C9H9ClO2
Molar mass
184.62 g/mol
Exact mass
184.0291 Da
Melting point
89–90 °C
logP
2.47Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
81322-67-0
SMILES
Cc1cc(O)c(C=O)c(C)c1Cl
InChIKey
NXNLQPJNVDGFOE-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO2/c1-5-3-8(12)7(4-11)6(2)9(5)10/h3-4,12H,1-2H3

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Names and synonyms

3 names
  • Benzaldehyde, 3-chloro-6-hydroxy-2,4-dimethyl-
  • Salicylaldehyde, 5-chloro-4,6-dimethyl-
  • 5-Chloro-2-hydroxy-4,6-dimethylbenzaldehyde

Work with 3-Chloro-6-hydroxy-2,4-dimethylbenzaldehyde

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-Dichloro-3,5-dimethylphenol133-53-961 % similar 2,4,6-Trihydroxybenzaldehyde487-70-743 % similar 2-Chloro-6-methylbenzaldehyde1194-64-542 % similar 2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-241 % similar 2,6-Dihydroxybenzaldehyde387-46-241 % similar 2,6-Dimethylbenzaldehyde1123-56-440 % similar Chloroxylenol88-04-040 % similar 5-Chloro-2-hydroxy-3-methylbenzaldehyde23602-63-338 % similar

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

Same formula

Ethyl m-chlorobenzoate1128-76-3 2-Phenoxypropanoyl chloride122-35-0 Phenylmethyl 2-chloroacetate140-18-1 4-Ethoxybenzoyl chloride16331-46-7 3-(2-Chlorophenyl)propionic acid1643-28-3 3-(3-Chlorophenyl)propanoic acid21640-48-2 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-8 2-(4-Chlorophenyl)-1,3-dioxolane2403-54-5

Elsewhere

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