β-Lapachone

C₁₅H₁₄O₃CAS 4707-32-8242.27 g/mol

Open in Covalent MOL file

Alkene Ether Ketone

Properties

Molecular formula: C₁₅H₁₄O₃
Molar mass: 242.27 g/mol
Exact mass: 242.0943 Da
Melting point: 124.5–125.5 °C
logP: 2.75Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

4707-32-8

SMILES

CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O

InChIKey

QZPQTZZNNJUOLS-UHFFFAOYSA-N

InChI

InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3

Weigh it out

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

Names and synonyms

8 names

2H-Naphtho[1,2-b]pyran-5,6-dione, 3,4-dihydro-2,2-dimethyl-
3,4-Dihydro-2,2-dimethyl-2H-naphtho[1,2-b]pyran-5,6-dione
SL 11001
NSC 26326
NSC 629749
ARQ 501
MB 12066
2,2-Dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione

Work with β-Lapachone

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

1,4-Diamino-2,3-dihydroanthraquinone81-63-033 % similar Dimethylbenzylcarbinyl butyrate10094-34-533 % similar Dimethylbenzylcarbinyl acetate151-05-333 % similar Buparvaquone88426-33-932 % similar Dichlone117-80-631 % similar Lapachol84-79-730 % 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 Equol531-95-3

Elsewhere

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