chempirical

Hinokitiol

C10H12O2CAS 499-44-5164.20 g/mol

Open in Covalent MOL file
OHO
Phenol

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Density
1.21 g/mL
Melting point
52–52.5 °C
logP
1.88Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
499-44-5
SMILES
CC(C)c1cccc(O)c(=O)c1
InChIKey
FUWUEFKEXZQKKA-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)

Weigh it out

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

Names and synonyms

22 names · show all
  • 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-
  • 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-isopropyl-
  • 2-Hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one
  • 2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one
  • 4-Isopropyltropolone
  • β-Thujaplicin
  • β-Thujaplicine
  • β-Isopropyltropolon
  • IPT
  • 6-Isopropyltropolone
  • Hyka 1
  • S-HT
  • HT-SF
  • NSC 18804
  • Kisei pro-sol N
  • Hinokitiol S-HT
  • Beta-Thujaplicin
  • Beta-Thujaplicine
  • H 0142
  • 2-Hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
  • 2-Hydroxy-6-(propan-2-yl)cyclohepta-2,4,6-trien-1-one
  • 2-Hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one

Work with Hinokitiol

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

1,3-Diisopropylbenzene99-62-754 % similar 3-Isopropylphenol618-45-153 % similar Carvacrol499-75-246 % similar Tropolone533-75-545 % similar 3-(1-Methylethyl)benzenamine5369-16-444 % similar 2-Isopropylphenol88-69-742 % similar Cumene98-82-840 % similar Thymol89-83-838 % similar

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

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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