chempirical

2-Allyl-4-chlorophenol

C9H9ClOCAS 13997-73-4168.62 g/mol

Open in Covalent MOL file
ClHO
AlkeneAryl halidePhenol

Properties

Molecular formula
C9H9ClO
Molar mass
168.62 g/mol
Exact mass
168.0342 Da
Melting point
48 °C
Boiling point
133–134 °C (at 15 Torr)
logP
2.77Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
13997-73-4
SMILES
C=CCc1cc(Cl)ccc1O
InChIKey
NQZKLVHWFYHXGH-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO/c1-2-3-7-6-8(10)4-5-9(7)11/h2,4-6,11H,1,3H2

Weigh it out

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

Names and synonyms

6 names
  • Phenol, 4-chloro-2-(2-propen-1-yl)-
  • Phenol, 2-allyl-4-chloro-
  • Phenol, 4-chloro-2-(2-propenyl)-
  • 4-Chloro-2-(2-propen-1-yl)phenol
  • 4-Chloro-2-allylphenol
  • NSC 1539

Work with 2-Allyl-4-chlorophenol

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

2,2'-Methylenebis(4-chlorophenol)1322-43-661 % similar Dichlorophen97-23-461 % similar 5-Chloro-2-hydroxybenzenemethanol5330-38-158 % similar O,O′-Diallylbisphenol A1745-89-755 % similar 2-Allylphenol1745-81-955 % similar Honokiol35354-74-654 % similar Chlorophene120-32-151 % similar 3'-Allyl-4'-hydroxyacetophenone1132-05-451 % similar

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

Same formula

4-Ethylbenzoyl chloride16331-45-6 3,4-Dimethylbenzoyl chloride21900-23-2 2,4-Dimethylbenzoyl chloride21900-42-5 1-(3-Chlorophenyl)-1-propanone34841-35-5 1-(4-Chloro-3-methylphenyl)ethanone37074-39-8 2-Chloro-1-(4-methylphenyl)ethanone4209-24-9 (4-Chlorophenyl)acetone5586-88-9 2-Chloro-1-phenyl-1-propanone6084-17-9

Elsewhere

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