chempirical

1-Iodo-3-(phenylmethoxy)benzene

C13H11IOCAS 107623-21-2310.13 g/mol

Open in Covalent MOL file
IO
Aryl halideEther

Properties

Molecular formula
C13H11IO
Molar mass
310.13 g/mol
Exact mass
309.9855 Da
Melting point
51.5–52.5 °C
logP
3.87Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
107623-21-2
SMILES
Ic1cccc(OCc2ccccc2)c1
InChIKey
QMKHOPJXDQAHBG-UHFFFAOYSA-N
InChI
InChI=1S/C13H11IO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Benzene, 1-iodo-3-(phenylmethoxy)-
  • Ether, benzyl m-iodophenyl
  • 3-(Benzyloxy)iodobenzene
  • 3-Benzyloxy-1-iodobenzene
  • Benzyl 3-iodophenyl ether
  • 3-Iodo-1-(benzyloxy)benzene
  • 1-Benzyloxy-3-iodobenzene

Work with 1-Iodo-3-(phenylmethoxy)benzene

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

3-(Benzyloxy)aniline1484-26-059 % similar 3-(Phenylmethoxy)benzenemethanol1700-30-759 % similar 3-Benzyloxybenzyl bromide1700-31-859 % similar 1-Benzyloxy-3-bromobenzene53087-13-159 % similar 3-(Phenylmethoxy)benzeneacetonitrile20967-96-856 % similar Hydroquinone dibenzyl ether621-91-055 % similar 3-Benzyloxyphenylboronic acid156682-54-154 % similar 3-Benzyloxybenzaldehyde1700-37-454 % similar

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

Elsewhere

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