1,1'-Biphenyl, 3-(1,1-dimethylethoxy)-2-iodo-6-methoxy-2',6'-bis(1-methylethyl)-

C₂₃H₃₁IO₂CAS 2489243-25-4466.40 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₂₃H₃₁IO₂
Molar mass: 466.40 g/mol
Exact mass: 466.1369 Da
logP: 7.39Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

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

2489243-25-4

SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)C2=C(C=CC(=C2I)OC(C)(C)C)OC

InChIKey

MCUKCJWRPFVUQR-UHFFFAOYSA-N

InChI

InChI=1S/C23H31IO2/c1-14(2)16-10-9-11-17(15(3)4)20(16)21-18(25-8)12-13-19(22(21)24)26-23(5,6)7/h9-15H,1-8H3

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Work with 1,1'-Biphenyl, 3-(1,1-dimethylethoxy)-2-iodo-6-methoxy-2',6'-bis(1-methylethyl)-

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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