chempirical

Loureirin C

C16H16O4CAS 116384-24-8272.30 g/mol

Open in Covalent MOL file
OHOOOH
EtherKetonePhenol

Properties

Molecular formula
C16H16O4
Molar mass
272.30 g/mol
Exact mass
272.1049 Da
logP
2.92Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5

Identifiers

CAS number
116384-24-8
SMILES
COC1=C(C=CC(=C1)O)CCC(=O)C2=CC=C(C=C2)O
InChIKey
LCKRZXFBCWYAKU-UHFFFAOYSA-N
InChI
InChI=1S/C16H16O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-4,6-8,10,17-18H,5,9H2,1H3

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Work with Loureirin C

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

Loureirin A119425-89-783 % similar Loureirin B119425-90-067 % similar 6-Hydroxyindan-1-one62803-47-852 % similar 4′-Hydroxybutyrophenone1009-11-650 % similar 5,6-Dimethoxy-1-indanone2107-69-948 % similar 1-(4-Hydroxyphenyl)-1-pentanone2589-71-148 % similar 1-(4-Hydroxyphenyl)-1-hexanone2589-72-247 % similar 6-Methoxy-1-indanone13623-25-146 % similar

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

Same formula

4,4′-Dimethoxybenzoin119-52-8 Deoxyshikonin43043-74-9 3′-Hydroxypterostilbene475231-21-1

Elsewhere

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