(1R,4S,4Ar,9as)-rel-1,4,4A,9A-tetrahydro-4A-methyl-1,4-methanoanthracene-9,10-dione

C₁₆H₁₄O₂CAS 97804-50-7238.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₄O₂
Molar mass: 238.29 g/mol
Exact mass: 238.0994 Da
logP: 2.89Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0
Stereocentres: R, S, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

97804-50-7

SMILES

C[C@@]12[C@H]3C[C@@H]([C@@H]1C(=O)C4=CC=CC=C4C2=O)C=C3

InChIKey

NELNWZJOZOSDFH-YBFQDZRDSA-N

InChI

InChI=1S/C16H14O2/c1-16-10-7-6-9(8-10)13(16)14(17)11-4-2-3-5-12(11)15(16)18/h2-7,9-10,13H,8H2,1H3/t9-,10+,13+,16+/m0/s1

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Names and synonyms

1 names

(1R,4S,4aR,9aS)-rel-4a-Methyl-1,4,4a,9a-tetrahydro-1,4-methanoanthracene-9,10-dione

Work with (1R,4S,4Ar,9as)-rel-1,4,4A,9A-tetrahydro-4A-methyl-1,4-methanoanthracene-9,10-dione

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

Pindone83-26-136 % similar Ninhydrin485-47-232 % similar Phenindione83-12-531 % similar 2-Benzoyl-1H-indene-1,3(2H)-dione1785-95-130 % similar

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

Same formula

Benzyl cinnamate103-41-3 1,2-Bis(4-methylphenyl)-1,2-ethanedione3457-48-5 3,4-Dihydro-6-methyl-4-phenyl-2H-1-benzopyran-2-one40546-94-9 1,4-Diphenyl-1,4-butanedione495-71-6 4,4'-Diacetylbiphenyl787-69-9 Dihydro-3,3-diphenyl-2(3H)-furanone956-89-8 4′-Methoxychalcone959-23-9 4-Methoxychalcone959-33-1

Elsewhere

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