chempirical

Hydroxychavicol

C9H10O2CAS 1126-61-0150.18 g/mol

Open in Covalent MOL file
OHOH
AlkenePhenol

Properties

Molecular formula
C9H10O2
Molar mass
150.18 g/mol
Exact mass
150.0681 Da
Melting point
48 °C
Boiling point
147–149 °C (at 10 Torr)
logP
1.83Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
1126-61-0
SMILES
C=CCc1ccc(O)c(O)c1
InChIKey
FHEHIXJLCWUPCZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2/c1-2-3-7-4-5-8(10)9(11)6-7/h2,4-6,10-11H,1,3H2

Weigh it out

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

Names and synonyms

15 names · show all
  • 1,2-Benzenediol, 4-(2-propen-1-yl)-
  • Pyrocatechol, 4-allyl-
  • 1,2-Benzenediol, 4-(2-propenyl)-
  • 4-(2-Propen-1-yl)-1,2-benzenediol
  • 4-Allylcatechol
  • 1,2-Dihydroxy-4-allylbenzene
  • 4-Allyl-1,2-dihydroxybenzene
  • 1-Allyl-3,4-dihydroxybenzene
  • 4-Allylpyrocatechol
  • 4-(2′-Propenyl)-1,2-benzenediol
  • 4-(2-Propenyl)-1,2-benzenediol
  • Desmethyleugenol
  • 4-Allyl-1,2-benzenediol
  • 3,4-Dihydroxyallylbenzene
  • p-Allylcatechol

Work with Hydroxychavicol

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

Magnolol528-43-878 % similar Eugenol97-53-062 % similar Honokiol35354-74-660 % similar Chavicol501-92-855 % similar 3,4-Dihydroxybenzyl alcohol3897-89-052 % similar 4-Ethyl-1,2-benzenediol1124-39-650 % similar 2-Allyl-4-chlorophenol13997-73-449 % similar Hydroxytyrosol10597-60-148 % similar

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

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 2-Phenylethyl formate104-62-1 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1 3′-Hydroxypropiophenone13103-80-5

Elsewhere

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