chempirical

Isomucronulatol

C17H18O5CAS 52250-35-8302.33 g/mol

Open in Covalent MOL file
OOHOOHO
EtherPhenol

Properties

Molecular formula
C17H18O5
Molar mass
302.33 g/mol
Exact mass
302.1154 Da
logP
2.83Crippen estimate
Polar surface area
68.2 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

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
52250-35-8
SMILES
COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)O)OC
InChIKey
NQRBAPDEZYMKFL-UHFFFAOYSA-N
InChI
InChI=1S/C17H18O5/c1-20-14-6-5-13(16(19)17(14)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3

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Work with Isomucronulatol

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

Elsewhere

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