chempirical

Lapachol

C15H14O3CAS 84-79-7242.27 g/mol

Open in Covalent MOL file
HOOO
AlkeneKetone

Properties

Molecular formula
C15H14O3
Molar mass
242.27 g/mol
Exact mass
242.0943 Da
Melting point
139.5 °C
logP
3.23Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
84-79-7
SMILES
CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O
InChIKey
CIEYTVIYYGTCCI-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H3

Weigh it out

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

Names and synonyms

19 names · show all
  • 1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-buten-1-yl)-
  • 1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-2-butenyl)-
  • 1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-butenyl)-
  • 2-Hydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthalenedione
  • C.I. 75490
  • Bethabarra wood
  • C.I. Natural yellow 16
  • 2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthoquinone
  • Ipe-tobacco Wood
  • Lapachol wood
  • Surinam greenheart wood
  • Taiguic acid
  • Taigu wood
  • Tecomin
  • NSC 11905
  • Greenhartin
  • 2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthalenedione
  • NSC 629756
  • 2-Hydroxy-3-(3-methylbut-2-en-1-yl)-1,4-dihydronaphthalene-1,4-dione

Work with Lapachol

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

Vitamin K211032-49-852 % similar Menaquinone 72124-57-452 % similar Menaquinone 684-81-152 % similar Menaquinone 4863-61-652 % similar Buparvaquone88426-33-947 % similar Vitamin K12001-79-538 % similar Phylloquinone84-80-038 % similar Menadione58-27-537 % similar

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

Same formula

Mexenone1641-17-4 2-(Benzyloxy)phenylacetic acid22047-88-7 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-1 Fenoprofen31879-05-7 4-Methoxyresveratrol33626-08-3 Bis(phenylmethyl) carbonate3459-92-5 Pinostilbene42438-89-1 β-Lapachone4707-32-8

Elsewhere

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