chempirical

Ulopterol

C15H18O5CAS 28095-18-3278.30 g/mol

Open in Covalent MOL file
OOOHOHO
AlcoholEther

Properties

Molecular formula
C15H18O5
Molar mass
278.30 g/mol
Exact mass
278.1154 Da
logP
1.48Crippen estimate
Polar surface area
79.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4
Stereocentres
Rin 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
28095-18-3
SMILES
CC(C)([C@@H](CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O
InChIKey
BNLKKFPQJANWMM-CYBMUJFWSA-N
InChI
InChI=1S/C15H18O5/c1-15(2,18)13(16)7-10-6-9-4-5-14(17)20-12(9)8-11(10)19-3/h4-6,8,13,16,18H,7H2,1-3H3/t13-/m1/s1

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Work with Ulopterol

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

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

Same formula

8-((2S)-2,3-Dihydroxy-3-methylbutyl)-7-methoxychromen-2-one5875-49-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook