1-Ethoxy-4-iodobenzene

C8H9IOCAS 699-08-1248.06 g/mol

Open in Covalent MOL file
OI
Aryl halideEther

Properties

Molecular formula
C8H9IO
Molar mass
248.06 g/mol
Exact mass
247.9698 Da
Melting point
29 °C
Boiling point
250 °C
logP
2.69Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
699-08-1
SMILES
CCOc1ccc(I)cc1
InChIKey
VSIIHWOJPSSIDI-UHFFFAOYSA-N
InChI
InChI=1S/C8H9IO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • 4-Iodo-1-ethoxybenzene
  • Benzene, 1-ethoxy-4-iodo-
  • Phenetole, p-iodo-
  • p-Ethoxyiodobenzene
  • p-Iodophenetole
  • 4-Iodophenetole
  • 4-Iodoethoxybenzene
  • NSC 3781
  • 4-(Ethyloxy)iodobenzene
  • 4-Ethoxyphenyl iodide

Work with 1-Ethoxy-4-iodobenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Diethoxybenzene122-95-271 % similar Ethyl phenyl ether103-73-156 % similar P-Phenetidine156-43-456 % similar 1-Ethoxy-4-fluorobenzene459-26-756 % similar 4-Bromophenetole588-96-556 % similar 1-Chloro-4-ethoxybenzene622-61-756 % similar 4-Ethoxyphenol622-62-856 % similar 4-Iodo-1-chloro-2-(4-ethoxybenzyl)benzene1103738-29-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodo-2,6-dimethylphenol10570-67-9 4-Iodo-2,5-dimethylphenol114971-53-8 4-Iodo-3,5-dimethyl-phenol80826-86-4

Elsewhere

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